Cfpyitrpgtyhdwwy-(orn)

Structural Information

Molecular Formula

C₁₀₈H₁₃₉N₂₅O₂₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)N[C@@H](CCCN)C(=O)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CS)N

InChI

InChI=1S/C108H139N25O25S/c1-5-57(2)89(130-99(149)79(45-63-31-37-69(138)38-32-63)126-101(151)86-26-16-42-133(86)106(156)84(128-92(142)72(110)55-159)46-60-17-7-6-8-18-60)102(152)131-91(59(4)135)104(154)119-75(24-14-40-114-108(111)112)105(155)132-41-15-25-85(132)100(150)117-54-87(139)129-90(58(3)134)103(153)127-78(44-62-29-35-68(137)36-30-62)94(144)124-82(49-66-53-113-56-118-66)97(147)125-83(50-88(140)141)98(148)123-81(48-65-52-116-74-22-12-10-20-71(65)74)96(146)122-80(47-64-51-115-73-21-11-9-19-70(64)73)95(145)121-77(43-61-27-33-67(136)34-28-61)93(143)120-76(107(157)158)23-13-39-109/h6-12,17-22,27-38,51-53,56-59,72,75-86,89-91,115-116,134-138,159H,5,13-16,23-26,39-50,54-55,109-110H2,1-4H3,(H,113,118)(H,117,150)(H,119,154)(H,120,143)(H,121,145)(H,122,146)(H,123,148)(H,124,144)(H,125,147)(H,126,151)(H,127,153)(H,128,142)(H,129,139)(H,130,149)(H,131,152)(H,140,141)(H,157,158)(H4,111,112,114)/t57-,58+,59+,72-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,89-,90-,91-/m0/s1

InChIKey

OKRKQRWLJUNVBW-XFVXSHJFSA-N

Compound name

(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]pentanoic acid

Related CIDs

• CID 71597884