4-[[2-[[2-[2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-[[4-methyl-1-oxidanylidene-1-[[1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propan-2-yl]amino]pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-[[2-[[2-[2-[[2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]ethanoylamino]-5-[bis(azanyl)methylideneamino]pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-[[4-methyl-1-oxidanylidene-1-[[1-oxidanylidene-1-[(1-oxidanyl-1-oxidanylidene-propan-2-yl)amino]propan-2-yl]amino]pentan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-sulfanyl-propanoyl]amino]-5-[[1-[[2-[(2-hydroxy-1-methyl-2-oxo-ethyl)amino]-1-methyl-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[[5-(diaminomethylideneamino)-2-[[2-[[2-[[2-[(2,6-diamino-1-oxohexyl)amino]-3-methyl-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxoethyl]amino]-1-oxopentyl]amino]-3-mercapto-1-oxopropyl]amino]-5-[[1-[[1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-[[1-[[1-[(1-hydroxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-[[2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-3-methyl-butanoyl]amino]-3-phenyl-propanoyl]amino]acetyl]amino]-5-guanidino-pentanoyl]amino]-3-mercapto-propanoyl]amino]-5-[[1-[[2-[(2-hydroxy-2-keto-1-methyl-ethyl)amino]-2-keto-1-methyl-ethyl]carbamoyl]-3-methyl-butyl]amino]-5-keto-valeric acid Formula: C48H80N14O13S MolecularWeight: 1093.2998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(C)C(=O)NC(C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CS)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)C)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C)CC(C(=O)NC(C)C(=O)NC(C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CS)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)C)NC(=O)C(CCCCN)N

InChI

InChI=1S/C48H80N14O13S/c1-25(2)21-33(44(71)55-27(5)39(66)56-28(6)47(74)75)59-43(70)32(17-18-37(64)65)58-45(72)35(24-76)61-42(69)31(16-12-20-53-48(51)52)57-36(63)23-54-41(68)34(22-29-13-8-7-9-14-29)60-46(73)38(26(3)4)62-40(67)30(50)15-10-11-19-49/h7-9,13-14,25-28,30-35,38,76H,10-12,15-24,49-50H2,1-6H3,(H,54,68)(H,55,71)(H,56,66)(H,57,63)(H,58,72)(H,59,70)(H,60,73)(H,61,69)(H,62,67)(H,64,65)(H,74,75)(H4,51,52,53)