[(2R)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate

Systemtic Name: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate Openeye Name: [(1R)-2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-2-propenoic acid [(2R)-1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-acrylic acid [(1R)-2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H32N4O4 MolecularWeight: 428.52458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)OC(C)C(=O)NC(=O)NC2CCCC2)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)O[C@H](C)C(=O)NC(=O)NC2CCCC2)C

InChI

InChI=1S/C23H32N4O4/c1-5-6-11-27-15(2)12-18(16(27)3)13-19(14-24)22(29)31-17(4)21(28)26-23(30)25-20-9-7-8-10-20/h12-13,17,20H,5-11H2,1-4H3,(H2,25,26,28,30)/b19-13+/t17-/m1/s1