5-[[1-[[5-azanyl-1-[[4-methyl-1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[1-[[5-azanyl-1-[[4-methyl-1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-pentan-2-yl]amino]-1,5-bis(oxidanylidene)pentan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-[[2-[[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-methyl-butanoyl]amino]-3-oxidanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[1-[[4-amino-1-[[1-[(1-carboxy-3-methylsulfanyl-propyl)carbamoyl]-3-methyl-butyl]carbamoyl]-4-oxo-butyl]carbamoyl]-2-methyl-butyl]amino]-4-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-[[1-[[5-amino-1-[[1-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[2-[[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-methyl-1-oxobutyl]amino]-3-hydroxy-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-[[1-[[5-amino-1-[[1-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoic acid Traditional Name: 5-[[1-[[4-amino-1-[[1-[[1-carboxy-3-(methylthio)propyl]carbamoyl]-3-methyl-butyl]carbamoyl]-4-keto-butyl]carbamoyl]-2-methyl-butyl]amino]-4-[[2-[[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-5-keto-valeric acid Formula: C38H67N9O14S MolecularWeight: 906.05548

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CO)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CO)N

InChI

InChI=1S/C38H67N9O14S/c1-8-20(6)30(37(59)42-22(9-11-27(40)50)32(54)44-25(15-18(2)3)34(56)43-24(38(60)61)13-14-62-7)47-33(55)23(10-12-28(51)52)41-35(57)26(17-49)45-36(58)29(19(4)5)46-31(53)21(39)16-48/h18-26,29-30,48-49H,8-17,39H2,1-7H3,(H2,40,50)(H,41,57)(H,42,59)(H,43,56)(H,44,54)(H,45,58)(H,46,53)(H,47,55)(H,51,52)(H,60,61)