2-[(4-chlorophenyl)methyl]-3-(phenylmethylsulfanyl)-2-(3-sulfanylpropanoylamino)propanoic acid

Systemtic Name: 2-[(4-chlorophenyl)methyl]-3-(phenylmethylsulfanyl)-2-(3-sulfanylpropanoylamino)propanoic acid Openeye Name: 2-(benzylsulfanylmethyl)-3-(4-chlorophenyl)-2-(3-sulfanylpropanoylamino)propanoic acid CAS Name: 2-[(4-chlorophenyl)methyl]-2-[(3-mercapto-1-oxopropyl)amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: 2-(benzylsulfanylmethyl)-3-(4-chlorophenyl)-2-(3-sulfanylpropanoylamino)propanoic acid Traditional Name: 2-[(benzylthio)methyl]-3-(4-chlorophenyl)-2-(3-mercaptopropanoylamino)propionic acid Formula: C20H22ClNO3S2 MolecularWeight: 423.97658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(CC2=CC=C(C=C2)Cl)(C(=O)O)NC(=O)CCS

Isomeric SMILES

C1=CC=C(C=C1)CSCC(CC2=CC=C(C=C2)Cl)(C(=O)O)NC(=O)CCS

InChI

InChI=1S/C20H22ClNO3S2/c21-17-8-6-15(7-9-17)12-20(19(24)25,22-18(23)10-11-26)14-27-13-16-4-2-1-3-5-16/h1-9,26H,10-14H2,(H,22,23)(H,24,25)