Nrc-15

Structural Information

Molecular Formula

C₁₁₈H₁₈₀N₃₀O₂₁

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC(C)C)C(=O)C)NC(=O)CNC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CN

InChI

InChI=1S/C118H180N30O21/c1-18-73(16)103(118(169)129-61-101(153)136-87(43-68(6)7)109(160)141-90(46-71(12)13)112(163)147-97(53-80-58-124-65-132-80)117(168)142-91(47-72(14)15)113(164)146-96(52-79-57-123-64-131-79)116(167)138-85(74(17)149)41-66(2)3)148-102(154)62-128-106(157)95(51-78-56-122-63-130-78)145-110(161)88(44-69(8)9)135-100(152)60-126-104(155)86(42-67(4)5)139-108(159)84(38-28-30-40-120)137-115(166)93(49-76-33-23-20-24-34-76)143-111(162)89(45-70(10)11)140-107(158)83(37-27-29-39-119)133-99(151)59-127-105(156)94(50-77-55-125-82-36-26-25-35-81(77)82)144-114(165)92(134-98(150)54-121)48-75-31-21-19-22-32-75/h19-26,31-36,55-58,63-73,83-97,103,125H,18,27-30,37-54,59-62,119-121H2,1-17H3,(H,122,130)(H,123,131)(H,124,132)(H,126,155)(H,127,156)(H,128,157)(H,129,169)(H,133,151)(H,134,150)(H,135,152)(H,136,153)(H,137,166)(H,138,167)(H,139,159)(H,140,158)(H,141,160)(H,142,168)(H,143,162)(H,144,165)(H,145,161)(H,146,164)(H,147,163)(H,148,154)/t73-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,103-/m0/s1

InChIKey

BYKKKWRJTQLOBH-PXAMGESCSA-N

Compound name

(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[[2-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]hexanamide

Related CIDs

• CID 16131779