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

Systemtic Name: 4-methyl-2-[[3-(4-phenylphenyl)-2-sulfanyl-propanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[3-(4-phenylphenyl)-2-sulfanyl-propanoyl]amino]pentanoic acid CAS Name: 2-[[2-mercapto-1-oxo-3-(4-phenylphenyl)propyl]amino]-4-methylpentanoic acid IUPAC Name: 4-methyl-2-[[3-(4-phenylphenyl)-2-sulfanylpropanoyl]amino]pentanoic acid Traditional Name: 2-[[2-mercapto-3-(4-phenylphenyl)propanoyl]amino]-4-methyl-valeric acid Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S/c1-14(2)12-18(21(24)25)22-20(23)19(26)13-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14,18-19,26H,12-13H2,1-2H3,(H,22,23)(H,24,25)