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

Systemtic Name: 3-[4-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-2-propoxy-phenyl]benzoic acid Openeye Name: 3-[4-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-2-propoxy-phenyl]benzoic acid CAS Name: 3-[4-[[(2R)-2-amino-3-mercaptopropyl]amino]-2-propoxyphenyl]benzoic acid IUPAC Name: 3-[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-propoxyphenyl]benzoic acid Traditional Name: 3-[4-[[(2R)-2-amino-3-mercapto-propyl]amino]-2-propoxy-phenyl]benzoic acid Formula: C19H24N2O3S MolecularWeight: 360.47046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)NCC(CS)N)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

CCCOC1=C(C=CC(=C1)NC[C@H](CS)N)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C19H24N2O3S/c1-2-8-24-18-10-16(21-11-15(20)12-25)6-7-17(18)13-4-3-5-14(9-13)19(22)23/h3-7,9-10,15,21,25H,2,8,11-12,20H2,1H3,(H,22,23)/t15-/m1/s1