Nrc-02

Structural Information

Molecular Formula

C₁₀₁H₁₇₁N₃₁O₂₂

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)N

InChI

InChI=1S/C101H171N31O22/c1-18-56(12)82(130-91(146)70(34-28-38-111-101(107)108)121-89(144)69(33-27-37-110-100(105)106)122-92(147)73(41-54(8)9)126-87(142)65(104)42-62-45-112-66-30-22-21-29-64(62)66)96(151)116-49-78(136)120-67(31-23-25-35-102)88(143)114-50-79(137)129-81(55(10)11)98(153)123-68(32-24-26-36-103)90(145)131-84(58(14)20-3)99(154)132-83(57(13)19-2)97(152)115-47-76(134)113-48-77(135)118-59(15)85(140)119-60(16)86(141)125-72(40-53(6)7)93(148)128-75(44-80(138)139)95(150)127-74(43-63-46-109-51-117-63)94(149)124-71(61(17)133)39-52(4)5/h21-22,29-30,45-46,51-60,65,67-75,81-84,112H,18-20,23-28,31-44,47-50,102-104H2,1-17H3,(H,109,117)(H,113,134)(H,114,143)(H,115,152)(H,116,151)(H,118,135)(H,119,140)(H,120,136)(H,121,144)(H,122,147)(H,123,153)(H,124,149)(H,125,141)(H,126,142)(H,127,150)(H,128,148)(H,129,137)(H,130,146)(H,131,145)(H,132,154)(H,138,139)(H4,105,106,110)(H4,107,108,111)/t56-,57-,58-,59-,60-,65-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-,82-,83-,84-/m0/s1

InChIKey

BOCNTJYVNHJNQE-YGFJTZNMSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16131766