3-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[2-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[2-[(2-amino-4-methylsulfanyl-butanoyl)amino]-3-phenyl-propanoyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-1-oxo-3-phenylpropyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[2-[(2-amino-4-methylsulfanylbutanoyl)amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[2-[[2-amino-4-(methylthio)butanoyl]amino]-3-phenyl-propanoyl]amino]-4-keto-butyric acid Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-27-8-7-14(19)17(25)21-15(9-12-5-3-2-4-6-12)18(26)20-13(11-22)10-16(23)24/h2-6,11,13-15H,7-10,19H2,1H3,(H,20,26)(H,21,25)(H,23,24)