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

Systemtic Name: 4-[4-[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]phenoxy]benzoic acid Openeye Name: 4-[4-[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]phenoxy]benzoic acid CAS Name: 4-[4-[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]phenoxy]benzoic acid IUPAC Name: 4-[4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]phenoxy]benzoic acid Traditional Name: 4-[4-[[(2R)-2-amino-3-mercapto-propanoyl]amino]phenoxy]benzoic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)NC(=O)C(CS)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)NC(=O)[C@H](CS)N

InChI

InChI=1S/C16H16N2O4S/c17-14(9-23)15(19)18-11-3-7-13(8-4-11)22-12-5-1-10(2-6-12)16(20)21/h1-8,14,23H,9,17H2,(H,18,19)(H,20,21)/t14-/m0/s1