6-azanyl-2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoic acid

Systemtic Name: 6-azanyl-2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-pentanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]-4-hydroxy-4-oxo-butanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[[1-[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]-4-hydroxy-1,4-dioxobutyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-amino-4-(methylthio)butanoyl]amino]-3-phenyl-propanoyl]prolyl]amino]-4-methyl-pentanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]-4-hydroxy-4-keto-butanoyl]amino]hexanoic acid Formula: C47H70N10O18S MolecularWeight: 1095.1799

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)O)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)C(CCSC)N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)O)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)C(CCSC)N

InChI

InChI=1S/C47H70N10O18S/c1-24(2)18-28(55-45(72)34-13-9-16-57(34)46(73)33(19-25-10-5-4-6-11-25)56-39(66)26(49)14-17-76-3)40(67)51-30(21-36(60)61)42(69)53-32(23-38(64)65)44(71)54-31(22-37(62)63)43(70)52-29(20-35(58)59)41(68)50-27(47(74)75)12-7-8-15-48/h4-6,10-11,24,26-34H,7-9,12-23,48-49H2,1-3H3,(H,50,68)(H,51,67)(H,52,70)(H,53,69)(H,54,71)(H,55,72)(H,56,66)(H,58,59)(H,60,61)(H,62,63)(H,64,65)(H,74,75)