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

Systemtic Name: 3-[(2-azanyl-3-phenyl-propanoyl)amino]-4-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[(2-amino-3-phenyl-propanoyl)amino]-4-[(1-carboxy-3-methylsulfanyl-propyl)amino]-4-oxo-butanoic acid CAS Name: 3-[(2-amino-1-oxo-3-phenylpropyl)amino]-4-[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-[(2-amino-3-phenylpropanoyl)amino]-4-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[[1-carboxy-3-(methylthio)propyl]amino]-4-keto-3-(phenylalanylamino)butyric acid Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H25N3O6S/c1-28-8-7-13(18(26)27)20-17(25)14(10-15(22)23)21-16(24)12(19)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10,19H2,1H3,(H,20,25)(H,21,24)(H,22,23)(H,26,27)