[(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-ureido-ethyl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2R,3S)-1-butyl-2-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: (2R,3S)-1-butyl-6-keto-2-(4-methoxyphenyl)nipecotic acid [(1S)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C21H29N3O6 MolecularWeight: 419.47146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OC(C)C(=O)NC(=O)N)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1[C@H]([C@H](CCC1=O)C(=O)O[C@@H](C)C(=O)NC(=O)N)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H29N3O6/c1-4-5-12-24-17(25)11-10-16(18(24)14-6-8-15(29-3)9-7-14)20(27)30-13(2)19(26)23-21(22)28/h6-9,13,16,18H,4-5,10-12H2,1-3H3,(H3,22,23,26,28)/t13-,16-,18-/m0/s1