methyl (2R)-2-[[(2S)-1-cyclohexylcarbonyl-4-(3-fluorophenyl)carbonyl-piperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2S)-1-cyclohexylcarbonyl-4-(3-fluorophenyl)carbonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2S)-1-[cyclohexyl(oxo)methyl]-4-[(3-fluorophenyl)-oxomethyl]-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)piperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-1-(cyclohexanecarbonyl)-4-(3-fluorobenzoyl)piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C23H30FN3O5 MolecularWeight: 447.499803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30FN3O5/c1-15(23(31)32-2)25-20(28)19-14-26(21(29)17-9-6-10-18(24)13-17)11-12-27(19)22(30)16-7-4-3-5-8-16/h6,9-10,13,15-16,19H,3-5,7-8,11-12,14H2,1-2H3,(H,25,28)/t15-,19+/m1/s1