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

Systemtic Name: (2R)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(3-fluorophenyl)carbonyl-1-thiophen-2-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2R)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide CAS Name: (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[(3-fluorophenyl)-oxomethyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinecarboxamide IUPAC Name: (2R)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(3-fluorobenzoyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxamide Traditional Name: (2R)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-(3-fluorobenzoyl)-1-(2-thenoyl)piperazine-2-carboxamide Formula: C26H31FN4O4S MolecularWeight: 514.612143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)F

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@H]2CN(CCN2C(=O)C3=CC=CS3)C(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C26H31FN4O4S/c27-19-9-4-8-18(15-19)25(34)30-11-12-31(26(35)22-10-5-13-36-22)21(16-30)24(33)29-20(23(28)32)14-17-6-2-1-3-7-17/h4-5,8-10,13,15,17,20-21H,1-3,6-7,11-12,14,16H2,(H2,28,32)(H,29,33)/t20-,21+/m0/s1