(3S)-3-[[(2S)-4-azanyl-2-[[(2S)-2-[2-[[(2S)-2-azanylpropanoyl]amino]ethanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-[[(2S)-6-azanyl-1-[[(2S,3S)-3-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-[[(2S)-4-azanyl-2-[[(2S)-2-[2-[[(2S)-2-azanylpropanoyl]amino]ethanoylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxidanylidene-butanoyl]amino]-4-[[(2S)-6-azanyl-1-[[(2S,3S)-3-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxo-butanoyl]amino]-4-[[(1S)-5-amino-1-[[(1S,2S)-1-[[(1S)-1-[[(1S)-1-carboxy-3-methylsulfanyl-propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]pentyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-amino-1-oxopropyl]amino]-1-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-1,4-dioxobutyl]amino]-4-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-keto-butanoyl]amino]-4-[[(1S)-5-amino-1-[[(1S,2S)-1-[[(1S)-1-[[(1S)-1-carboxy-3-(methylthio)propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-butyl]carbamoyl]pentyl]amino]-4-keto-butyric acid Formula: C42H71N13O13S MolecularWeight: 998.15744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](C)N

InChI

InChI=1S/C42H71N13O13S/c1-7-22(4)34(41(66)54-27(14-21(2)3)37(62)51-26(42(67)68)11-13-69-6)55-36(61)25(10-8-9-12-43)50-40(65)30(17-33(58)59)53-39(64)29(16-31(45)56)52-38(63)28(15-24-18-46-20-48-24)49-32(57)19-47-35(60)23(5)44/h18,20-23,25-30,34H,7-17,19,43-44H2,1-6H3,(H2,45,56)(H,46,48)(H,47,60)(H,49,57)(H,50,65)(H,51,62)(H,52,63)(H,53,64)(H,54,66)(H,55,61)(H,58,59)(H,67,68)/t22-,23-,25-,26-,27-,28-,29-,30-,34-/m0/s1