2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]butanedioic acid

Systemtic Name: 2-[[2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]butanedioic acid Openeye Name: 2-[(2-benzyl-3-sulfanyl-propanoyl)amino]butanedioic acid CAS Name: 2-[[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]butanedioic acid IUPAC Name: 2-[(2-benzyl-3-sulfanylpropanoyl)amino]butanedioic acid Traditional Name: 2-[(2-benzyl-3-mercapto-propanoyl)amino]succinic acid Formula: C14H17NO5S MolecularWeight: 311.35348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5S/c16-12(17)7-11(14(19)20)15-13(18)10(8-21)6-9-4-2-1-3-5-9/h1-5,10-11,21H,6-8H2,(H,15,18)(H,16,17)(H,19,20)