2-[[2-[[2-[[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-[[2-[[2-[[2-[(2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]butanedioic acid Openeye Name: 2-[[2-[[2-[[2-[[2-[(2-amino-4-hydroxy-4-oxo-butanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]butanedioic acid CAS Name: 2-[[2-[[2-[[2-[[2-[(2-amino-4-hydroxy-1,4-dioxobutyl)amino]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]butanedioic acid IUPAC Name: 2-[[2-[[2-[[2-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid Traditional Name: 2-[[2-[[2-[[2-[[2-[(2-amino-4-hydroxy-4-keto-butanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]succinic acid Formula: C29H46N8O12S MolecularWeight: 730.78694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46N8O12S/c1-13(2)7-18(27(46)37-23(14(3)38)28(47)36-20(29(48)49)10-22(41)42)35-25(44)17(5-6-50-4)33-26(45)19(8-15-11-31-12-32-15)34-24(43)16(30)9-21(39)40/h11-14,16-20,23,38H,5-10,30H2,1-4H3,(H,31,32)(H,33,45)(H,34,43)(H,35,44)(H,36,47)(H,37,46)(H,39,40)(H,41,42)(H,48,49)