H-leu-ser-lys-tyr-gly-gly-glu-cys-ser-leu-glu-his-asn-thr-cys-thr-tyr-arg-lys-asp-gly-lys-asn-his-val-val-ser-cys-pro-ser-ala-ala-asn-leu-arg-cys-lys-thr-asp-arg-his-his-cys-glu-tyr-asp-asp-his-his-lys-thr-val-asp-cys-gln-thr-pro-val-oh

Structural Information

Molecular Formula

C₂₇₃H₄₂₆N₈₈O₉₁S₆

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CC5=CN=CN5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N6CCC[C@H]6C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H]7CCCN7C(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N)O

InChI

InChI=1S/C273H426N88O91S6/c1-122(2)77-148(279)218(399)341-181(107-363)251(432)317-151(39-24-29-69-276)223(404)325-163(80-136-47-53-145(371)54-48-136)219(400)300-103-196(378)299-104-197(379)311-157(60-64-199(381)382)227(408)346-187(113-456)257(438)342-182(108-364)252(433)324-162(79-124(5)6)234(415)319-159(61-65-200(383)384)229(410)328-168(85-141-99-292-118-304-141)240(421)334-174(91-195(283)377)249(430)357-213(133(19)368)266(447)349-188(114-457)258(439)358-212(132(18)367)264(445)338-165(82-138-51-57-147(373)58-52-138)235(416)315-154(42-32-72-296-271(284)285)222(403)312-150(38-23-28-68-275)224(405)335-175(92-202(387)388)220(401)301-105-198(380)310-149(37-22-27-67-274)221(402)333-173(90-194(282)376)243(424)332-171(88-144-102-295-121-307-144)248(429)351-209(127(11)12)263(444)352-208(126(9)10)262(443)344-183(109-365)253(434)350-189(115-458)268(449)360-75-35-45-190(360)259(440)343-180(106-362)250(431)309-129(15)216(397)308-130(16)217(398)322-172(89-193(281)375)242(423)323-161(78-123(3)4)233(414)314-156(44-34-74-298-273(288)289)226(407)345-184(110-453)254(435)318-153(41-26-31-71-278)231(412)355-211(131(17)366)265(446)340-178(95-205(393)394)244(425)316-155(43-33-73-297-272(286)287)225(406)327-167(84-140-98-291-117-303-140)238(419)330-170(87-143-101-294-120-306-143)241(422)347-185(111-454)256(437)321-160(62-66-201(385)386)228(409)326-164(81-137-49-55-146(372)56-50-137)236(417)336-177(94-204(391)392)246(427)337-176(93-203(389)390)245(426)331-169(86-142-100-293-119-305-142)239(420)329-166(83-139-97-290-116-302-139)237(418)313-152(40-25-30-70-277)230(411)356-214(134(20)369)267(448)353-207(125(7)8)261(442)339-179(96-206(395)396)247(428)348-186(112-455)255(436)320-158(59-63-192(280)374)232(413)359-215(135(21)370)269(450)361-76-36-46-191(361)260(441)354-210(128(13)14)270(451)452/h47-58,97-102,116-135,148-191,207-215,362-373,453-458H,22-46,59-96,103-115,274-279H2,1-21H3,(H2,280,374)(H2,281,375)(H2,282,376)(H2,283,377)(H,290,302)(H,291,303)(H,292,304)(H,293,305)(H,294,306)(H,295,307)(H,299,378)(H,300,400)(H,301,401)(H,308,397)(H,309,431)(H,310,380)(H,311,379)(H,312,403)(H,313,418)(H,314,414)(H,315,416)(H,316,425)(H,317,432)(H,318,435)(H,319,415)(H,320,436)(H,321,437)(H,322,398)(H,323,423)(H,324,433)(H,325,404)(H,326,409)(H,327,406)(H,328,410)(H,329,420)(H,330,419)(H,331,426)(H,332,424)(H,333,402)(H,334,421)(H,335,405)(H,336,417)(H,337,427)(H,338,445)(H,339,442)(H,340,446)(H,341,399)(H,342,438)(H,343,440)(H,344,443)(H,345,407)(H,346,408)(H,347,422)(H,348,428)(H,349,447)(H,350,434)(H,351,429)(H,352,444)(H,353,448)(H,354,441)(H,355,412)(H,356,411)(H,357,430)(H,358,439)(H,359,413)(H,381,382)(H,383,384)(H,385,386)(H,387,388)(H,389,390)(H,391,392)(H,393,394)(H,395,396)(H,451,452)(H4,284,285,296)(H4,286,287,297)(H4,288,289,298)/t129-,130-,131+,132+,133+,134+,135+,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,207-,208-,209-,210-,211-,212-,213-,214-,215-/m0/s1

InChIKey

FCKOSLANPQNUCC-DYXAFRGOSA-N

Compound name

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

Related CIDs

• CID 16130643