3-[4-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]phenyl]benzoic acid

Systemtic Name: 3-[4-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]phenyl]benzoic acid Openeye Name: 3-[4-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]phenyl]benzoic acid CAS Name: 3-[4-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]phenyl]benzoic acid IUPAC Name: 3-[4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]phenyl]benzoic acid Traditional Name: 3-[4-[[(2R)-2-amino-3-mercapto-propanoyl]amino]phenyl]benzoic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)NC(=O)C(CS)N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)NC(=O)[C@H](CS)N

InChI

InChI=1S/C16H16N2O3S/c17-14(9-22)15(19)18-13-6-4-10(5-7-13)11-2-1-3-12(8-11)16(20)21/h1-8,14,22H,9,17H2,(H,18,19)(H,20,21)/t14-/m0/s1