2-[(3-acetamidophenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(3-acetamidophenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(3-acetamidophenyl)carbamoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(3-acetamidoanilino)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(3-acetamidophenyl)carbamoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(3-acetamidophenyl)carbamoylamino]-4-(methylthio)butyric acid Formula: C14H19N3O4S MolecularWeight: 325.38336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C14H19N3O4S/c1-9(18)15-10-4-3-5-11(8-10)16-14(21)17-12(13(19)20)6-7-22-2/h3-5,8,12H,6-7H2,1-2H3,(H,15,18)(H,19,20)(H2,16,17,21)