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

Systemtic Name: 3-[3-[[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]methyl]phenyl]benzoic acid Openeye Name: 3-[3-[[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]methyl]phenyl]benzoic acid CAS Name: 3-[3-[[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]methyl]phenyl]benzoic acid IUPAC Name: 3-[3-[[[(2R)-2-amino-3-sulfanylpropanoyl]amino]methyl]phenyl]benzoic acid Traditional Name: 3-[3-[[[(2R)-2-amino-3-mercapto-propanoyl]amino]methyl]phenyl]benzoic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c18-15(10-23)16(20)19-9-11-3-1-4-12(7-11)13-5-2-6-14(8-13)17(21)22/h1-8,15,23H,9-10,18H2,(H,19,20)(H,21,22)/t15-/m0/s1