(2S)-4-methyl-2-[[(2S)-3-phenyl-2-(phenylcarbonylsulfanyl)propanoyl]amino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[(2S)-3-phenyl-2-(phenylcarbonylsulfanyl)propanoyl]amino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-benzoylsulfanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-(benzoylthio)-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-benzoylsulfanyl-3-phenylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-(benzoylthio)-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S/c1-15(2)13-18(21(25)26)23-20(24)19(14-16-9-5-3-6-10-16)28-22(27)17-11-7-4-8-12-17/h3-12,15,18-19H,13-14H2,1-2H3,(H,23,24)(H,25,26)/t18-,19-/m0/s1