[(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (E)-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (E)-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [(1R)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-3-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid [(2R)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [(1R)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=CC(=O)OC(C)C(=O)NC(=O)NC(C)C

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)/C=C/C(=O)O[C@H](C)C(=O)NC(=O)NC(C)C

InChI

InChI=1S/C22H33N3O4/c1-14(2)23-22(28)24-21(27)17(5)29-20(26)12-11-18-13-15(3)25(16(18)4)19-9-7-6-8-10-19/h11-14,17,19H,6-10H2,1-5H3,(H2,23,24,27,28)/b12-11+/t17-/m1/s1