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

Systemtic Name: N-[(2S)-3-cyclohexyl-1-[[(4S)-1-(furan-2-ylcarbonyl)-3-oxidanylidene-azepan-4-yl]amino]-1-oxidanylidene-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-(cyclohexylmethyl)-2-[[(4S)-1-(furan-2-carbonyl)-3-oxo-azepan-4-yl]amino]-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-3-cyclohexyl-1-[[(4S)-1-[2-furanyl(oxo)methyl]-3-oxo-4-azepanyl]amino]-1-oxopropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-3-cyclohexyl-1-[[(4S)-1-(furan-2-carbonyl)-3-oxoazepan-4-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-(cyclohexylmethyl)-2-[[(4S)-1-(2-furoyl)-3-keto-azepan-4-yl]amino]-2-keto-ethyl]-2-furamide Formula: C25H31N3O6 MolecularWeight: 469.53014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2CCCN(CC2=O)C(=O)C3=CC=CO3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N[C@H]2CCCN(CC2=O)C(=O)C3=CC=CO3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C25H31N3O6/c29-20-16-28(25(32)22-11-6-14-34-22)12-4-9-18(20)26-23(30)19(15-17-7-2-1-3-8-17)27-24(31)21-10-5-13-33-21/h5-6,10-11,13-14,17-19H,1-4,7-9,12,15-16H2,(H,26,30)(H,27,31)/t18-,19-/m0/s1