Nh2-arg-ser-gln-lys-glu-gly-leu-his-tyr-thr-cys-ser-ser-his-phe-pro-tyr-ser-gln-tyr-gln-phe-trp-lys-cooh

Structural Information

Molecular Formula

C₁₃₈H₁₉₁N₃₇O₃₈S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)N)O

InChI

InChI=1S/C138H191N37O38S/c1-72(2)52-94(154-112(187)64-151-116(191)89(43-47-113(188)189)156-117(192)88(25-12-14-48-139)155-118(193)90(40-44-109(142)184)158-129(204)103(65-176)169-115(190)86(141)23-16-50-149-138(145)146)121(196)165-100(59-80-62-147-70-152-80)126(201)163-98(56-78-32-38-84(183)39-33-78)128(203)174-114(73(3)180)135(210)173-107(69-214)133(208)172-106(68-179)132(207)171-105(67-178)131(206)166-101(60-81-63-148-71-153-81)127(202)168-102(57-75-20-8-5-9-21-75)136(211)175-51-17-27-108(175)134(209)167-97(55-77-30-36-83(182)37-31-77)124(199)170-104(66-177)130(205)159-92(42-46-111(144)186)120(195)162-96(54-76-28-34-82(181)35-29-76)122(197)157-91(41-45-110(143)185)119(194)161-95(53-74-18-6-4-7-19-74)123(198)164-99(58-79-61-150-87-24-11-10-22-85(79)87)125(200)160-93(137(212)213)26-13-15-49-140/h4-11,18-22,24,28-39,61-63,70-73,86,88-108,114,150,176-183,214H,12-17,23,25-27,40-60,64-69,139-141H2,1-3H3,(H2,142,184)(H2,143,185)(H2,144,186)(H,147,152)(H,148,153)(H,151,191)(H,154,187)(H,155,193)(H,156,192)(H,157,197)(H,158,204)(H,159,205)(H,160,200)(H,161,194)(H,162,195)(H,163,201)(H,164,198)(H,165,196)(H,166,206)(H,167,209)(H,168,202)(H,169,190)(H,170,199)(H,171,207)(H,172,208)(H,173,210)(H,174,203)(H,188,189)(H,212,213)(H4,145,146,149)/t73-,86+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,114+/m1/s1

InChIKey

WVPFQRNRXAQASB-NONGCCFYSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid

Related CIDs

• CID 16131984