(2R)-3-phenyl-2-[[4-sulfanyl-2-[(2-sulfanylidene-1H-pyridin-3-yl)carbonylamino]butanoyl]amino]propanoic acid

Systemtic Name: (2R)-3-phenyl-2-[[4-sulfanyl-2-[(2-sulfanylidene-1H-pyridin-3-yl)carbonylamino]butanoyl]amino]propanoic acid Openeye Name: (2R)-3-phenyl-2-[[4-sulfanyl-2-[(2-thioxo-1H-pyridine-3-carbonyl)amino]butanoyl]amino]propanoic acid CAS Name: (2R)-2-[[4-mercapto-1-oxo-2-[[oxo-(2-sulfanylidene-1H-pyridin-3-yl)methyl]amino]butyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-3-phenyl-2-[[4-sulfanyl-2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]butanoyl]amino]propanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-[(2-thioxo-1H-pyridine-3-carbonyl)amino]butanoyl]amino]-3-phenyl-propionic acid Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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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=CC=CNC2=S

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC=CNC2=S

InChI

InChI=1S/C19H21N3O4S2/c23-16(13-7-4-9-20-18(13)28)21-14(8-10-27)17(24)22-15(19(25)26)11-12-5-2-1-3-6-12/h1-7,9,14-15,27H,8,10-11H2,(H,20,28)(H,21,23)(H,22,24)(H,25,26)/t14?,15-/m1/s1