Nh2-rrwayrkaykgyayrkar-conh2

Structural Information

Molecular Formula

C₁₀₉H₁₆₈N₃₈O₂₂

SMILES

C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)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](C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C109H168N38O22/c1-59(89(154)137-75(88(114)153)24-14-48-126-106(117)118)132-95(160)77(22-8-11-45-111)140-97(162)80(26-16-50-128-108(121)122)142-103(168)84(54-65-32-40-70(150)41-33-65)145-91(156)61(3)134-100(165)82(52-63-28-36-68(148)37-29-63)136-87(152)58-131-94(159)76(21-7-10-44-110)139-102(167)83(53-64-30-38-69(149)39-31-64)144-90(155)60(2)133-96(161)78(23-9-12-46-112)141-98(163)81(27-17-51-129-109(123)124)143-104(169)85(55-66-34-42-71(151)43-35-66)146-92(157)62(4)135-101(166)86(56-67-57-130-74-20-6-5-18-72(67)74)147-99(164)79(25-15-49-127-107(119)120)138-93(158)73(113)19-13-47-125-105(115)116/h5-6,18,20,28-43,57,59-62,73,75-86,130,148-151H,7-17,19,21-27,44-56,58,110-113H2,1-4H3,(H2,114,153)(H,131,159)(H,132,160)(H,133,161)(H,134,165)(H,135,166)(H,136,152)(H,137,154)(H,138,158)(H,139,167)(H,140,162)(H,141,163)(H,142,168)(H,143,169)(H,144,155)(H,145,156)(H,146,157)(H,147,164)(H4,115,116,125)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t59-,60-,61-,62-,73-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-/m0/s1

InChIKey

KHRTZFQFVDNSTN-UDYQWPCZSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]hexanamide

Related CIDs

• CID 16197327