2-[[4-azanyl-4-oxidanylidene-2-(sulfanylmethyl)butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-azanyl-4-oxidanylidene-2-(sulfanylmethyl)butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-amino-4-oxo-2-(sulfanylmethyl)butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[4-amino-2-(mercaptomethyl)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-amino-4-oxo-2-(sulfanylmethyl)butanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-amino-4-keto-2-(mercaptomethyl)butanoyl]amino]-3-phenyl-propionic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)N)CS

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)N)CS

InChI

InChI=1S/C14H18N2O4S/c15-12(17)7-10(8-21)13(18)16-11(14(19)20)6-9-4-2-1-3-5-9/h1-5,10-11,21H,6-8H2,(H2,15,17)(H,16,18)(H,19,20)