N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]-1-oxidanylidene-propan-2-yl]-4-methyl-piperazine-1-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]-4-methyl-piperazine-1-carboxamide Openeye Name: N-[(1S)-1-(cyclopentylmethyl)-2-[[(4S,7R)-7-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]amino]-2-oxo-ethyl]-4-methyl-piperazine-1-carboxamide CAS Name: N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]-1-oxopropan-2-yl]-4-methyl-1-piperazinecarboxamide IUPAC Name: N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-4-methylpiperazine-1-carboxamide Traditional Name: N-[(1S)-1-(cyclopentylmethyl)-2-keto-2-[[(4S,7R)-3-keto-7-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]-4-methyl-piperazine-1-carboxamide Formula: C26H40N6O5S MolecularWeight: 548.698

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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)N4CCN(CC4)C

Isomeric SMILES

C[C@@H]1CC[C@@H](C(=O)CN1S(=O)(=O)C2=CC=CC=N2)NC(=O)[C@H](CC3CCCC3)NC(=O)N4CCN(CC4)C

InChI

InChI=1S/C26H40N6O5S/c1-19-10-11-21(23(33)18-32(19)38(36,37)24-9-5-6-12-27-24)28-25(34)22(17-20-7-3-4-8-20)29-26(35)31-15-13-30(2)14-16-31/h5-6,9,12,19-22H,3-4,7-8,10-11,13-18H2,1-2H3,(H,28,34)(H,29,35)/t19-,21+,22+/m1/s1