2-(2-methylpropanoylamino)-3-[2-(4-phenylphenyl)ethylsulfanyl]-3-sulfanyl-propanoic acid

Systemtic Name: 2-(2-methylpropanoylamino)-3-[2-(4-phenylphenyl)ethylsulfanyl]-3-sulfanyl-propanoic acid Openeye Name: 2-(2-methylpropanoylamino)-3-[2-(4-phenylphenyl)ethylsulfanyl]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(2-methyl-1-oxopropyl)amino]-3-[2-(4-phenylphenyl)ethylthio]propanoic acid IUPAC Name: 2-(2-methylpropanoylamino)-3-[2-(4-phenylphenyl)ethylsulfanyl]-3-sulfanylpropanoic acid Traditional Name: 2-(isobutyrylamino)-3-mercapto-3-[2-(4-phenylphenyl)ethylthio]propionic acid Formula: C21H25NO3S2 MolecularWeight: 403.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(C(S)SCCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)C(=O)NC(C(S)SCCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H25NO3S2/c1-14(2)19(23)22-18(20(24)25)21(26)27-13-12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18,21,26H,12-13H2,1-2H3,(H,22,23)(H,24,25)