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

Systemtic Name: 4-methyl-2-[3-(phenylcarbonylsulfanyl)propanoyl-(phenylmethyl)amino]pentanoic acid Openeye Name: 2-[3-benzoylsulfanylpropanoyl(benzyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-(benzoylthio)-1-oxopropyl]-(phenylmethyl)amino]-4-methylpentanoic acid IUPAC Name: 2-[3-benzoylsulfanylpropanoyl(benzyl)amino]-4-methylpentanoic acid Traditional Name: 2-[3-(benzoylthio)propanoyl-benzyl-amino]-4-methyl-valeric acid Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CC1=CC=CC=C1)C(=O)CCSC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)O)N(CC1=CC=CC=C1)C(=O)CCSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H27NO4S/c1-17(2)15-20(22(26)27)24(16-18-9-5-3-6-10-18)21(25)13-14-29-23(28)19-11-7-4-8-12-19/h3-12,17,20H,13-16H2,1-2H3,(H,26,27)