Ac-gnmrqahcni srakwnntlk qidsklreqf gnnktiifkq ssggdpeivt hsfncggeff yc-nh2

Structural Information

Molecular Formula

C₃₀₉H₄₇₅N₉₃O₉₃S₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC9=CNC1=CC=CC=C19)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)C

InChI

InChI=1S/C309H475N93O93S4/c1-24-152(12)243(394-271(460)187(88-95-223(318)416)364-260(449)176(73-47-52-101-311)355-274(463)192(111-150(8)9)381-303(492)248(159(19)408)400-290(479)208(127-230(325)423)379-286(475)205(124-227(322)420)377-280(469)199(118-169-130-339-174-71-45-44-70-173(169)174)375-263(452)175(72-46-51-100-310)353-252(441)157(17)347-257(446)180(77-56-105-335-307(327)328)360-292(481)215(143-407)389-300(489)244(153(13)25-2)396-289(478)207(126-229(324)422)380-295(484)218(146-498)392-282(471)200(119-170-131-333-147-345-170)368-253(442)158(18)348-258(447)184(85-92-220(315)413)361-261(450)181(78-57-106-336-308(329)330)354-269(458)190(99-109-499-23)366-283(472)202(121-224(319)417)350-233(426)135-338-162(22)411)298(487)384-209(128-240(436)437)288(477)388-212(140-404)291(480)359-178(75-49-54-103-313)264(453)369-191(110-149(6)7)273(462)358-182(79-58-107-337-309(331)332)262(451)365-188(90-97-238(432)433)266(455)363-185(86-93-221(316)414)267(456)370-193(112-163-60-34-29-35-61-163)254(443)344-138-236(429)351-203(122-225(320)418)284(473)378-204(123-226(321)419)285(474)357-179(76-50-55-104-314)270(459)399-250(161(21)410)305(494)398-247(156(16)28-5)302(491)397-245(154(14)26-3)299(488)382-198(116-167-68-42-33-43-69-167)275(464)356-177(74-48-53-102-312)259(448)362-186(87-94-222(317)415)268(457)386-214(142-406)294(483)385-211(139-403)255(444)342-133-231(424)341-137-235(428)352-210(129-241(438)439)306(495)402-108-59-80-219(402)296(485)367-189(91-98-239(434)435)272(461)395-246(155(15)27-4)301(490)393-242(151(10)11)297(486)401-249(160(20)409)304(493)383-201(120-171-132-334-148-346-171)281(470)387-213(141-405)293(482)374-196(115-166-66-40-32-41-67-166)278(467)376-206(125-228(323)421)287(476)391-217(145-497)256(445)343-134-232(425)340-136-234(427)349-183(89-96-237(430)431)265(454)371-194(113-164-62-36-30-37-63-164)276(465)372-195(114-165-64-38-31-39-65-165)277(466)373-197(117-168-81-83-172(412)84-82-168)279(468)390-216(144-496)251(326)440/h29-45,60-71,81-84,130-132,147-161,175-219,242-250,339,403-410,412,496-498H,24-28,46-59,72-80,85-129,133-146,310-314H2,1-23H3,(H2,315,413)(H2,316,414)(H2,317,415)(H2,318,416)(H2,319,417)(H2,320,418)(H2,321,419)(H2,322,420)(H2,323,421)(H2,324,422)(H2,325,423)(H2,326,440)(H,333,345)(H,334,346)(H,338,411)(H,340,425)(H,341,424)(H,342,444)(H,343,445)(H,344,443)(H,347,446)(H,348,447)(H,349,427)(H,350,426)(H,351,429)(H,352,428)(H,353,441)(H,354,458)(H,355,463)(H,356,464)(H,357,474)(H,358,462)(H,359,480)(H,360,481)(H,361,450)(H,362,448)(H,363,455)(H,364,449)(H,365,451)(H,366,472)(H,367,485)(H,368,442)(H,369,453)(H,370,456)(H,371,454)(H,372,465)(H,373,466)(H,374,482)(H,375,452)(H,376,467)(H,377,469)(H,378,473)(H,379,475)(H,380,484)(H,381,492)(H,382,488)(H,383,493)(H,384,487)(H,385,483)(H,386,457)(H,387,470)(H,388,477)(H,389,489)(H,390,468)(H,391,476)(H,392,471)(H,393,490)(H,394,460)(H,395,461)(H,396,478)(H,397,491)(H,398,494)(H,399,459)(H,400,479)(H,401,486)(H,430,431)(H,432,433)(H,434,435)(H,436,437)(H,438,439)(H4,327,328,335)(H4,329,330,336)(H4,331,332,337)/t152-,153-,154-,155-,156-,157-,158-,159+,160+,161+,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-,211-,212-,213-,214-,215-,216-,217-,218-,219-,242-,243-,244-,245-,246-,247-,248-,249-,250-/m0/s1

InChIKey

GZUKKEWFIQVCDM-IUUJDLFFSA-N

Compound name

(4S)-4-[[2-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetamidoacetyl)amino]-4-amino-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-6-aminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16204870