[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C17H22N4O4S MolecularWeight: 378.44598

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)N1CCC(=N1)C2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)N1CCC(=N1)C2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C17H22N4O4S/c1-26-10-8-14(19-17(18)24)16(23)25-11-15(22)21-9-7-13(20-21)12-5-3-2-4-6-12/h2-6,14H,7-11H2,1H3,(H3,18,19,24)/t14-/m1/s1