(2S)-4-methyl-2-[[2-[(4-phenylphenyl)methyl]-4-sulfanyl-butanoyl]amino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[2-[(4-phenylphenyl)methyl]-4-sulfanyl-butanoyl]amino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[[2-[(4-phenylphenyl)methyl]-4-sulfanyl-butanoyl]amino]pentanoic acid CAS Name: (2S)-2-[[4-mercapto-1-oxo-2-[(4-phenylphenyl)methyl]butyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-4-methyl-2-[[2-[(4-phenylphenyl)methyl]-4-sulfanylbutanoyl]amino]pentanoic acid Traditional Name: (2S)-2-[[4-mercapto-2-(4-phenylbenzyl)butanoyl]amino]-4-methyl-valeric acid Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)C(CCS)CC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C23H29NO3S/c1-16(2)14-21(23(26)27)24-22(25)20(12-13-28)15-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-11,16,20-21,28H,12-15H2,1-2H3,(H,24,25)(H,26,27)/t20?,21-/m0/s1