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

Systemtic Name: N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-pyridin-2-ylsulfonyl-azepan-4-yl]amino]propan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide Openeye Name: N-[(1S)-1-(cyclohexylmethyl)-2-oxo-2-[[(4S)-3-oxo-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]-2-methyl-thiazole-4-carboxamide CAS Name: N-[(2S)-3-cyclohexyl-1-oxo-1-[[(4S)-3-oxo-1-(2-pyridinylsulfonyl)-4-azepanyl]amino]propan-2-yl]-2-methyl-4-thiazolecarboxamide IUPAC Name: N-[(2S)-3-cyclohexyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]propan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide Traditional Name: N-[(1S)-1-(cyclohexylmethyl)-2-keto-2-[[(4S)-3-keto-1-(2-pyridylsulfonyl)azepan-4-yl]amino]ethyl]-2-methyl-thiazole-4-carboxamide Formula: C25H33N5O5S2 MolecularWeight: 547.69002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C(=O)NC(CC2CCCCC2)C(=O)NC3CCCN(CC3=O)S(=O)(=O)C4=CC=CC=N4

Isomeric SMILES

CC1=NC(=CS1)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H]3CCCN(CC3=O)S(=O)(=O)C4=CC=CC=N4

InChI

InChI=1S/C25H33N5O5S2/c1-17-27-21(16-36-17)25(33)29-20(14-18-8-3-2-4-9-18)24(32)28-19-10-7-13-30(15-22(19)31)37(34,35)23-11-5-6-12-26-23/h5-6,11-12,16,18-20H,2-4,7-10,13-15H2,1H3,(H,28,32)(H,29,33)/t19-,20-/m0/s1