E-c-y-r-k-s-d-v-i-t-c-e-p-w-q-k-f-c-y-r-e-v-t-f-f-p-n-h-p-v-y-l-s-g-c-a-s-e-c-t-e-t-n-s-k-w-c-c-t-t-d-k-c-n-r-a-r-g-g

Structural Information

Molecular Formula

C₂₉₄H₄₄₁N₈₃O₉₁S₈

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N8CCC[C@H]8C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC9=CN=CN9)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C294H441N83O91S8/c1-19-142(10)228(368-279(457)226(140(6)7)366-263(441)193(118-223(409)410)345-266(444)199(128-381)356-245(423)171(60-35-39-95-297)327-241(419)174(64-43-99-315-293(308)309)331-252(430)183(107-154-69-75-160(388)76-70-154)341-269(447)201(130-470)358-237(415)165(299)81-88-217(397)398)281(459)373-233(149(17)386)286(464)364-205(134-474)268(446)338-180(86-92-221(405)406)288(466)375-101-45-66-208(375)275(453)346-188(112-158-120-318-167-57-32-30-55-164(158)167)257(435)335-176(82-87-211(300)391)247(425)328-169(58-33-37-93-295)243(421)340-182(105-151-48-23-20-24-49-151)256(434)361-203(132-472)270(448)342-184(108-155-71-77-161(389)78-72-155)253(431)332-175(65-44-100-316-294(310)311)242(420)334-178(84-90-219(401)402)249(427)365-227(141(8)9)280(458)372-231(147(15)384)284(462)349-185(106-152-50-25-21-26-51-152)255(433)352-194(110-153-52-27-22-28-53-153)289(467)376-102-46-67-209(376)276(454)347-190(115-213(302)393)260(438)353-195(113-159-121-312-137-322-159)290(468)377-103-47-68-210(377)277(455)367-225(139(4)5)278(456)348-186(109-156-73-79-162(390)80-74-156)254(432)339-181(104-138(2)3)251(429)355-196(125-378)239(417)321-123-216(396)325-200(129-469)267(445)324-144(12)236(414)354-197(126-379)264(442)336-177(83-89-218(399)400)248(426)360-206(135-475)273(451)370-229(145(13)382)282(460)337-179(85-91-220(403)404)250(428)369-230(146(14)383)283(461)350-191(116-214(303)394)261(439)357-198(127-380)265(443)333-170(59-34-38-94-296)244(422)343-187(111-157-119-317-166-56-31-29-54-163(157)166)258(436)362-204(133-473)272(450)363-207(136-476)274(452)371-234(150(18)387)287(465)374-232(148(16)385)285(463)351-192(117-222(407)408)262(440)329-172(61-36-40-96-298)246(424)359-202(131-471)271(449)344-189(114-212(301)392)259(437)330-173(63-42-98-314-292(306)307)240(418)323-143(11)235(413)326-168(62-41-97-313-291(304)305)238(416)320-122-215(395)319-124-224(411)412/h20-32,48-57,69-80,119-121,137-150,165,168-210,225-234,317-318,378-390,469-476H,19,33-47,58-68,81-118,122-136,295-299H2,1-18H3,(H2,300,391)(H2,301,392)(H2,302,393)(H2,303,394)(H,312,322)(H,319,395)(H,320,416)(H,321,417)(H,323,418)(H,324,445)(H,325,396)(H,326,413)(H,327,419)(H,328,425)(H,329,440)(H,330,437)(H,331,430)(H,332,431)(H,333,443)(H,334,420)(H,335,435)(H,336,442)(H,337,460)(H,338,446)(H,339,432)(H,340,421)(H,341,447)(H,342,448)(H,343,422)(H,344,449)(H,345,444)(H,346,453)(H,347,454)(H,348,456)(H,349,462)(H,350,461)(H,351,463)(H,352,433)(H,353,438)(H,354,414)(H,355,429)(H,356,423)(H,357,439)(H,358,415)(H,359,424)(H,360,426)(H,361,434)(H,362,436)(H,363,450)(H,364,464)(H,365,427)(H,366,441)(H,367,455)(H,368,457)(H,369,428)(H,370,451)(H,371,452)(H,372,458)(H,373,459)(H,374,465)(H,397,398)(H,399,400)(H,401,402)(H,403,404)(H,405,406)(H,407,408)(H,409,410)(H,411,412)(H4,304,305,313)(H4,306,307,314)(H4,308,309,315)(H4,310,311,316)/t142-,143-,144-,145+,146+,147+,148+,149+,150+,165-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,225-,226-,227-,228-,229-,230-,231-,232-,233-,234-/m0/s1

InChIKey

HCMQWOWRVOSTNP-DXSIZNNNSA-N

Compound name

(4S)-4-amino-5-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2R)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2R)-1-[[(2S)-4-amino-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[2-(carboxymethylamino)-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133649