[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C19H28N4O4S MolecularWeight: 408.51502

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCCC2)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCCC2)NC(=O)N

InChI

InChI=1S/C19H28N4O4S/c1-28-12-9-16(22-19(20)26)18(25)27-13-17(24)21-14-5-7-15(8-6-14)23-10-3-2-4-11-23/h5-8,16H,2-4,9-13H2,1H3,(H,21,24)(H3,20,22,26)/t16-/m1/s1