2-[2,3-dihydro-1H-inden-2-yl-[(2R)-2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[2,3-dihydro-1H-inden-2-yl-[(2R)-2-methyl-3-(phenylcarbonylsulfanyl)propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2R)-3-benzoylsulfanyl-2-methyl-propanoyl]-indan-2-yl-amino]acetic acid CAS Name: 2-[[(2R)-3-(benzoylthio)-2-methyl-1-oxopropyl]-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid IUPAC Name: 2-[[(2R)-3-benzoylsulfanyl-2-methylpropanoyl]-(2,3-dihydro-1H-inden-2-yl)amino]acetic acid Traditional Name: 2-[[(2R)-3-(benzoylthio)-2-methyl-propanoyl]-indan-2-yl-amino]acetic acid Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC=CC=C1)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2

Isomeric SMILES

C[C@@H](CSC(=O)C1=CC=CC=C1)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2

InChI

InChI=1S/C22H23NO4S/c1-15(14-28-22(27)16-7-3-2-4-8-16)21(26)23(13-20(24)25)19-11-17-9-5-6-10-18(17)12-19/h2-10,15,19H,11-14H2,1H3,(H,24,25)/t15-/m0/s1