4-methylsulfanyl-2-[[2-phenyl-4-[(2-pyridin-3-ylethanoylamino)methyl]phenyl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[2-phenyl-4-[(2-pyridin-3-ylethanoylamino)methyl]phenyl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-phenyl-4-[[[2-(3-pyridyl)acetyl]amino]methyl]benzoyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[4-[[[1-oxo-2-(3-pyridinyl)ethyl]amino]methyl]-2-phenylphenyl]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-phenyl-4-[[(2-pyridin-3-ylacetyl)amino]methyl]benzoyl]amino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-phenyl-4-[[[2-(3-pyridyl)acetyl]amino]methyl]benzoyl]amino]butyric acid Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CNC(=O)CC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)CNC(=O)CC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H27N3O4S/c1-34-13-11-23(26(32)33)29-25(31)21-10-9-19(14-22(21)20-7-3-2-4-8-20)17-28-24(30)15-18-6-5-12-27-16-18/h2-10,12,14,16,23H,11,13,15,17H2,1H3,(H,28,30)(H,29,31)(H,32,33)