N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]-1-oxidanylidene-propan-2-yl]-1H-pyrrole-2-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]-1H-pyrrole-2-carboxamide Openeye Name: N-[(1S)-1-(cyclopentylmethyl)-2-[[(4S,7R)-7-methyl-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]amino]-2-oxo-ethyl]-1H-pyrrole-2-carboxamide CAS Name: N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide IUPAC Name: N-[(2S)-3-cyclopentyl-1-[[(4S,7R)-7-methyl-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide Traditional Name: N-[(1S)-1-(cyclopentylmethyl)-2-keto-2-[[(4S,7R)-3-keto-7-methyl-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]-1H-pyrrole-2-carboxamide Formula: C25H33N5O5S MolecularWeight: 515.62502

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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=CN4

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=CN4

InChI

InChI=1S/C25H33N5O5S/c1-17-11-12-19(22(31)16-30(17)36(34,35)23-10-4-5-13-27-23)28-25(33)21(15-18-7-2-3-8-18)29-24(32)20-9-6-14-26-20/h4-6,9-10,13-14,17-19,21,26H,2-3,7-8,11-12,15-16H2,1H3,(H,28,33)(H,29,32)/t17-,19+,21+/m1/s1