(2R)-3-phenyl-2-[[2-(pyridin-3-ylcarbonylamino)-4-sulfanyl-butanoyl]amino]propanoic acid

Systemtic Name: (2R)-3-phenyl-2-[[2-(pyridin-3-ylcarbonylamino)-4-sulfanyl-butanoyl]amino]propanoic acid Openeye Name: (2R)-3-phenyl-2-[[2-(pyridine-3-carbonylamino)-4-sulfanyl-butanoyl]amino]propanoic acid CAS Name: (2R)-2-[[4-mercapto-1-oxo-2-[[oxo(3-pyridinyl)methyl]amino]butyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-3-phenyl-2-[[2-(pyridine-3-carbonylamino)-4-sulfanylbutanoyl]amino]propanoic acid Traditional Name: (2R)-2-[(4-mercapto-2-nicotinamido-butanoyl)amino]-3-phenyl-propionic acid Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCS)NC(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C19H21N3O4S/c23-17(14-7-4-9-20-12-14)21-15(8-10-27)18(24)22-16(19(25)26)11-13-5-2-1-3-6-13/h1-7,9,12,15-16,27H,8,10-11H2,(H,21,23)(H,22,24)(H,25,26)/t15?,16-/m1/s1