3-azanyl-2-methyl-4-[2-(phenylmethyl)-3-pyridin-3-ylcarbonylsulfanyl-propanoyl]benzoic acid

Systemtic Name: 3-azanyl-2-methyl-4-[2-(phenylmethyl)-3-pyridin-3-ylcarbonylsulfanyl-propanoyl]benzoic acid Openeye Name: 3-amino-4-[2-benzyl-3-(pyridine-3-carbonylsulfanyl)propanoyl]-2-methyl-benzoic acid CAS Name: 3-amino-2-methyl-4-[1-oxo-2-[[[oxo(3-pyridinyl)methyl]thio]methyl]-3-phenylpropyl]benzoic acid IUPAC Name: 3-amino-4-[2-benzyl-3-(pyridine-3-carbonylsulfanyl)propanoyl]-2-methylbenzoic acid Traditional Name: 3-amino-4-[2-benzyl-3-(nicotinoylthio)propanoyl]-2-methyl-benzoic acid Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1N)C(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1N)C(=O)C(CC2=CC=CC=C2)CSC(=O)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C24H22N2O4S/c1-15-19(23(28)29)9-10-20(21(15)25)22(27)18(12-16-6-3-2-4-7-16)14-31-24(30)17-8-5-11-26-13-17/h2-11,13,18H,12,14,25H2,1H3,(H,28,29)