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

Systemtic Name: 4-methyl-2-[3-(phenylcarbonylsulfanyl)propyl-(phenylmethyl)amino]pentanoic acid Openeye Name: 2-[3-benzoylsulfanylpropyl(benzyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[3-(benzoylthio)propyl-(phenylmethyl)amino]-4-methylpentanoic acid IUPAC Name: 2-[3-benzoylsulfanylpropyl(benzyl)amino]-4-methylpentanoic acid Traditional Name: 2-[3-(benzoylthio)propyl-benzyl-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)N(CCCSC(=O)C1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCCSC(=O)C1=CC=CC=C1)CC2=CC=CC=C2

InChI

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