2-[(2-acetamido-3-methyl-but-2-enoyl)amino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: 2-[(2-acetamido-3-methyl-but-2-enoyl)amino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: 2-[(2-acetamido-3-methyl-but-2-enoyl)amino]-3-benzylsulfanyl-propanoic acid CAS Name: 2-[(2-acetamido-3-methyl-1-oxobut-2-enyl)amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 2-[(2-acetamido-3-methylbut-2-enoyl)amino]-3-benzylsulfanylpropanoic acid Traditional Name: 2-[(2-acetamido-3-methyl-but-2-enoyl)amino]-3-(benzylthio)propionic acid Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC(CSCC1=CC=CC=C1)C(=O)O)NC(=O)C)C

Isomeric SMILES

CC(=C(C(=O)NC(CSCC1=CC=CC=C1)C(=O)O)NC(=O)C)C

InChI

InChI=1S/C17H22N2O4S/c1-11(2)15(18-12(3)20)16(21)19-14(17(22)23)10-24-9-13-7-5-4-6-8-13/h4-8,14H,9-10H2,1-3H3,(H,18,20)(H,19,21)(H,22,23)