N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]-1-oxidanylidene-propan-2-yl]-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]-1-oxidanylidene-propan-2-yl]-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[(1S)-1-(cyclopentylmethyl)-2-[[(4S,7R)-7-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]amino]-2-oxo-ethyl]-2-methyl-pyrazole-3-carboxamide CAS Name: N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]-1-oxopropan-2-yl]-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-2-methylpyrazole-3-carboxamide Traditional Name: N-[(1S)-1-(cyclopentylmethyl)-2-keto-2-[[(4S,7R)-3-keto-7-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]-2-methyl-pyrazole-3-carboxamide Formula: C25H34N6O5S MolecularWeight: 530.63966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC3CCCC3)NC(=O)C4=CC=NN4C

Isomeric SMILES

C[C@@H]1CC[C@@H](C(=O)CN1S(=O)(=O)C2=CC=CC=N2)NC(=O)[C@H](CC3CCCC3)NC(=O)C4=CC=NN4C

InChI

InChI=1S/C25H34N6O5S/c1-17-10-11-19(22(32)16-31(17)37(35,36)23-9-5-6-13-26-23)28-24(33)20(15-18-7-3-4-8-18)29-25(34)21-12-14-27-30(21)2/h5-6,9,12-14,17-20H,3-4,7-8,10-11,15-16H2,1-2H3,(H,28,33)(H,29,34)/t17-,19+,20+/m1/s1