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-2-phenyl-1,3-thiazole-5-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-2-phenyl-1,3-thiazole-5-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-2-phenyl-thiazole-5-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-2-phenyl-5-thiazolecarboxamide 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-methyl-2-phenyl-1,3-thiazole-5-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-2-phenyl-thiazole-5-carboxamide Formula: C31H37N5O5S2 MolecularWeight: 623.78598

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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=C(N=C(S4)C5=CC=CC=C5)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)C4=C(N=C(S4)C5=CC=CC=C5)C

InChI

InChI=1S/C31H37N5O5S2/c1-20-15-16-24(26(37)19-36(20)43(40,41)27-14-8-9-17-32-27)34-29(38)25(18-22-10-6-7-11-22)35-30(39)28-21(2)33-31(42-28)23-12-4-3-5-13-23/h3-5,8-9,12-14,17,20,22,24-25H,6-7,10-11,15-16,18-19H2,1-2H3,(H,34,38)(H,35,39)/t20-,24+,25+/m1/s1