4-azanyl-5-[[6-azanyl-1-[[1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[6-azanyl-1-[[1-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[[5-amino-1-[[1-benzyl-2-[(1-carboxy-3-methylsulfanyl-propyl)amino]-2-oxo-ethyl]carbamoyl]pentyl]amino]-5-oxo-pentanoic acid CAS Name: 4-amino-5-[[6-amino-1-[[1-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[[6-amino-1-[[1-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 4-amino-5-[[5-amino-1-[[1-benzyl-2-[[1-carboxy-3-(methylthio)propyl]amino]-2-keto-ethyl]carbamoyl]pentyl]amino]-5-keto-valeric acid Formula: C25H39N5O7S MolecularWeight: 553.67146

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C25H39N5O7S/c1-38-14-12-19(25(36)37)29-24(35)20(15-16-7-3-2-4-8-16)30-23(34)18(9-5-6-13-26)28-22(33)17(27)10-11-21(31)32/h2-4,7-8,17-20H,5-6,9-15,26-27H2,1H3,(H,28,33)(H,29,35)(H,30,34)(H,31,32)(H,36,37)