[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(N-cyclohexylanilino)-2-oxo-ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-(N-cyclohexylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-cyclohexylanilino)-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-(N-cyclohexylanilino)-2-keto-ethyl] ester Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)N(C1CCCCC1)C2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)N(C1CCCCC1)C2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C20H29N3O4S/c1-28-13-12-17(22-20(21)26)19(25)27-14-18(24)23(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2,4-5,8-9,16-17H,3,6-7,10-14H2,1H3,(H3,21,22,26)/t17-/m1/s1