2-[(6S)-1-(cyclohexylcarbamoyl)-4-[(3,5-dimethoxyphenyl)methyl]-6-(2-methylpropyl)-5-oxidanylidene-piperazin-2-yl]propanoic acid

Systemtic Name: 2-[(6S)-1-(cyclohexylcarbamoyl)-4-[(3,5-dimethoxyphenyl)methyl]-6-(2-methylpropyl)-5-oxidanylidene-piperazin-2-yl]propanoic acid Openeye Name: 2-[(6S)-1-(cyclohexylcarbamoyl)-4-[(3,5-dimethoxyphenyl)methyl]-6-isobutyl-5-oxo-piperazin-2-yl]propanoic acid CAS Name: 2-[(6S)-1-[(cyclohexylamino)-oxomethyl]-4-[(3,5-dimethoxyphenyl)methyl]-6-(2-methylpropyl)-5-oxo-2-piperazinyl]propanoic acid IUPAC Name: 2-[(6S)-1-(cyclohexylcarbamoyl)-4-[(3,5-dimethoxyphenyl)methyl]-6-(2-methylpropyl)-5-oxopiperazin-2-yl]propanoic acid Traditional Name: 2-[(6S)-1-(cyclohexylcarbamoyl)-4-(3,5-dimethoxybenzyl)-6-isobutyl-5-keto-piperazin-2-yl]propionic acid Formula: C27H41N3O6 MolecularWeight: 503.63094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)N(CC(N1C(=O)NC2CCCCC2)C(C)C(=O)O)CC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)C[C@H]1C(=O)N(CC(N1C(=O)NC2CCCCC2)C(C)C(=O)O)CC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C27H41N3O6/c1-17(2)11-23-25(31)29(15-19-12-21(35-4)14-22(13-19)36-5)16-24(18(3)26(32)33)30(23)27(34)28-20-9-7-6-8-10-20/h12-14,17-18,20,23-24H,6-11,15-16H2,1-5H3,(H,28,34)(H,32,33)/t18?,23-,24?/m0/s1