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

Systemtic Name: 3-[4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-2-phenyl-phenyl]benzoic acid Openeye Name: 3-[4-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-2-phenyl-phenyl]benzoic acid CAS Name: 3-[4-[[(2R)-2-amino-3-mercaptopropyl]amino]-2-phenylphenyl]benzoic acid IUPAC Name: 3-[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylphenyl]benzoic acid Traditional Name: 3-[4-[[(2R)-2-amino-3-mercapto-propyl]amino]-2-phenyl-phenyl]benzoic acid Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)NCC(CS)N)C3=CC(=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)NC[C@H](CS)N)C3=CC(=CC=C3)C(=O)O

InChI

InChI=1S/C22H22N2O2S/c23-18(14-27)13-24-19-9-10-20(16-7-4-8-17(11-16)22(25)26)21(12-19)15-5-2-1-3-6-15/h1-12,18,24,27H,13-14,23H2,(H,25,26)/t18-/m1/s1