methyl (2R)-2-[[(2R)-1-cyclohexylcarbonyl-4-(4-dimethylaminophenyl)carbonyl-piperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2R)-1-cyclohexylcarbonyl-4-(4-dimethylaminophenyl)carbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2R)-1-(cyclohexanecarbonyl)-4-[4-(dimethylamino)benzoyl]piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2R)-1-[cyclohexyl(oxo)methyl]-4-[(4-dimethylaminophenyl)-oxomethyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2R)-1-(cyclohexanecarbonyl)-4-[4-(dimethylamino)benzoyl]piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2R)-1-(cyclohexanecarbonyl)-4-[4-(dimethylamino)benzoyl]piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C25H36N4O5 MolecularWeight: 472.57714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1C(=O)C2CCCCC2)C(=O)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@H]1CN(CCN1C(=O)C2CCCCC2)C(=O)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C25H36N4O5/c1-17(25(33)34-4)26-22(30)21-16-28(23(31)19-10-12-20(13-11-19)27(2)3)14-15-29(21)24(32)18-8-6-5-7-9-18/h10-13,17-18,21H,5-9,14-16H2,1-4H3,(H,26,30)/t17-,21-/m1/s1