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

Systemtic Name: (2S)-2-[(2-methyl-2-sulfanyl-propanoyl)amino]-3-(4-phenylphenyl)propanoic acid Openeye Name: (2S)-2-[(2-methyl-2-sulfanyl-propanoyl)amino]-3-(4-phenylphenyl)propanoic acid CAS Name: (2S)-2-[(2-mercapto-2-methyl-1-oxopropyl)amino]-3-(4-phenylphenyl)propanoic acid IUPAC Name: (2S)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-(4-phenylphenyl)propanoic acid Traditional Name: (2S)-2-[(2-mercapto-2-methyl-propanoyl)amino]-3-(4-phenylphenyl)propionic acid Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)S

Isomeric SMILES

CC(C)(C(=O)N[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O)S

InChI

InChI=1S/C19H21NO3S/c1-19(2,24)18(23)20-16(17(21)22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11,16,24H,12H2,1-2H3,(H,20,23)(H,21,22)/t16-/m0/s1