(2R)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(3-fluorophenyl)carbonyl-1-morpholin-4-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: (2R)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(3-fluorophenyl)carbonyl-1-morpholin-4-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2R)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-(3-fluorobenzoyl)-1-(morpholine-4-carbonyl)piperazine-2-carboxamide CAS Name: (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[(3-fluorophenyl)-oxomethyl]-1-[4-morpholinyl(oxo)methyl]-2-piperazinecarboxamide IUPAC Name: (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(3-fluorobenzoyl)-1-(morpholine-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2R)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-(3-fluorobenzoyl)-1-(morpholine-4-carbonyl)piperazine-2-carboxamide Formula: C26H36FN5O5 MolecularWeight: 517.592943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)N3CCOCC3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@H]2CN(CCN2C(=O)N3CCOCC3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C26H36FN5O5/c27-20-8-4-7-19(16-20)25(35)31-9-10-32(26(36)30-11-13-37-14-12-30)22(17-31)24(34)29-21(23(28)33)15-18-5-2-1-3-6-18/h4,7-8,16,18,21-22H,1-3,5-6,9-15,17H2,(H2,28,33)(H,29,34)/t21-,22+/m0/s1