2-[(2-methyl-3-sulfanyl-propanoyl)amino]-3-[2-(4-phenylphenyl)ethylsulfanyl]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)NC(CSCCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CS)C(=O)NC(CSCCC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H25NO3S2/c1-15(13-26)20(23)22-19(21(24)25)14-27-12-11-16-7-9-18(10-8-16)17-5-3-2-4-6-17/h2-10,15,19,26H,11-14H2,1H3,(H,22,23)(H,24,25)