N-[(2S)-3-cyclohexyl-1-[[(4S)-1-methylsulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-3-cyclohexyl-1-[[(4S)-1-methylsulfonyl-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-(cyclohexylmethyl)-2-[[(4S)-1-methylsulfonyl-3-oxo-azepan-4-yl]amino]-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-3-cyclohexyl-1-[[(4S)-1-methylsulfonyl-3-oxo-4-azepanyl]amino]-1-oxopropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-3-cyclohexyl-1-[[(4S)-1-methylsulfonyl-3-oxoazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-(cyclohexylmethyl)-2-keto-2-[[(4S)-3-keto-1-mesyl-azepan-4-yl]amino]ethyl]-2-furamide Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C(=O)C1)NC(=O)C(CC2CCCCC2)NC(=O)C3=CC=CO3

Isomeric SMILES

CS(=O)(=O)N1CCC[C@@H](C(=O)C1)NC(=O)[C@H](CC2CCCCC2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H31N3O6S/c1-31(28,29)24-11-5-9-16(18(25)14-24)22-20(26)17(13-15-7-3-2-4-8-15)23-21(27)19-10-6-12-30-19/h6,10,12,15-17H,2-5,7-9,11,13-14H2,1H3,(H,22,26)(H,23,27)/t16-,17-/m0/s1