3-(2-azanylethanoylamino)-4-(phenylmethylsulfanyl)benzoic acid

Systemtic Name: 3-(2-azanylethanoylamino)-4-(phenylmethylsulfanyl)benzoic acid Openeye Name: 3-[(2-aminoacetyl)amino]-4-benzylsulfanyl-benzoic acid CAS Name: 3-[(2-amino-1-oxoethyl)amino]-4-(phenylmethylthio)benzoic acid IUPAC Name: 3-[(2-aminoacetyl)amino]-4-benzylsulfanylbenzoic acid Traditional Name: 4-(benzylthio)-3-(glycylamino)benzoic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)O)NC(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=C(C=C2)C(=O)O)NC(=O)CN

InChI

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