(2R)-2-[[2-(1,2-oxazol-5-ylcarbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-(1,2-oxazol-5-ylcarbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-(isoxazole-5-carbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[5-isoxazolyl(oxo)methyl]amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-(1,2-oxazole-5-carbonylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-(isoxazole-5-carbonylamino)-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C17H19N3O5S MolecularWeight: 377.41486

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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=NO2

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC=NO2

InChI

InChI=1S/C17H19N3O5S/c21-15(12(7-9-26)19-16(22)14-6-8-18-25-14)20-13(17(23)24)10-11-4-2-1-3-5-11/h1-6,8,12-13,26H,7,9-10H2,(H,19,22)(H,20,21)(H,23,24)/t12?,13-/m1/s1