N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]piperazine-1-carboxamide

Systemtic Name: N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]piperazine-1-carboxamide Openeye Name: N-[(1S)-1-(cyclohexylmethyl)-2-oxo-2-[[(4S)-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]piperazine-1-carboxamide CAS Name: N-[(2S)-3-cyclohexyl-1-oxo-1-[[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]propan-2-yl]-1-piperazinecarboxamide IUPAC Name: N-[(2S)-3-cyclohexyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propan-2-yl]piperazine-1-carboxamide Traditional Name: N-[(1S)-1-(cyclohexylmethyl)-2-keto-2-[[(4S)-3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]piperazine-1-carboxamide Formula: C25H38N6O5S MolecularWeight: 534.67142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2CCCN(CC2=O)S(=O)(=O)C3=CC=CC=N3)NC(=O)N4CCNCC4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N[C@H]2CCCN(CC2=O)S(=O)(=O)C3=CC=CC=N3)NC(=O)N4CCNCC4

InChI

InChI=1S/C25H38N6O5S/c32-22-18-31(37(35,36)23-10-4-5-11-27-23)14-6-9-20(22)28-24(33)21(17-19-7-2-1-3-8-19)29-25(34)30-15-12-26-13-16-30/h4-5,10-11,19-21,26H,1-3,6-9,12-18H2,(H,28,33)(H,29,34)/t20-,21-/m0/s1