[(2S)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: [(2S)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: [(1S)-2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid [(2S)-1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(1S)-2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OC(C)C(=O)NC(=O)NC3CCCC3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)O[C@@H](C)C(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C23H29N3O4/c1-15-13-20(16(2)26(15)14-18-9-5-4-6-10-18)22(28)30-17(3)21(27)25-23(29)24-19-11-7-8-12-19/h4-6,9-10,13,17,19H,7-8,11-12,14H2,1-3H3,(H2,24,25,27,29)/t17-/m0/s1