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

Systemtic Name: 4-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 4-[[2-[(2-amino-3-phenyl-propanoyl)amino]-4-hydroxy-4-oxo-butanoyl]amino]-5-[(1-carboxy-3-methylsulfanyl-propyl)amino]-5-oxo-pentanoic acid CAS Name: 4-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-hydroxy-1,4-dioxobutyl]amino]-5-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 4-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-hydroxy-4-oxobutanoyl]amino]-5-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid Traditional Name: 5-[[1-carboxy-3-(methylthio)propyl]amino]-4-[[4-hydroxy-4-keto-2-(phenylalanylamino)butanoyl]amino]-5-keto-valeric acid Formula: C23H32N4O9S MolecularWeight: 540.58658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O9S/c1-37-10-9-16(23(35)36)26-21(33)15(7-8-18(28)29)25-22(34)17(12-19(30)31)27-20(32)14(24)11-13-5-3-2-4-6-13/h2-6,14-17H,7-12,24H2,1H3,(H,25,34)(H,26,33)(H,27,32)(H,28,29)(H,30,31)(H,35,36)