N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide Openeye Name: N-[(1S)-1-(cyclohexylmethyl)-2-oxo-2-[[(4S)-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]-4-methyl-2-phenyl-thiazole-5-carboxamide CAS Name: N-[(2S)-3-cyclohexyl-1-oxo-1-[[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]propan-2-yl]-4-methyl-2-phenyl-5-thiazolecarboxamide IUPAC Name: N-[(2S)-3-cyclohexyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propan-2-yl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide Traditional Name: N-[(1S)-1-(cyclohexylmethyl)-2-keto-2-[[(4S)-3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]-4-methyl-2-phenyl-thiazole-5-carboxamide Formula: C31H37N5O5S2 MolecularWeight: 623.78598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NC(CC3CCCCC3)C(=O)NC4CCCN(CC4=O)S(=O)(=O)C5=CC=CC=N5

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@H]4CCCN(CC4=O)S(=O)(=O)C5=CC=CC=N5

InChI

InChI=1S/C31H37N5O5S2/c1-21-28(42-31(33-21)23-13-6-3-7-14-23)30(39)35-25(19-22-11-4-2-5-12-22)29(38)34-24-15-10-18-36(20-26(24)37)43(40,41)27-16-8-9-17-32-27/h3,6-9,13-14,16-17,22,24-25H,2,4-5,10-12,15,18-20H2,1H3,(H,34,38)(H,35,39)/t24-,25-/m0/s1