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

Systemtic Name: N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(4S)-3-oxidanylidene-1-(phenylcarbonyl)azepan-4-yl]amino]propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-2-[[(4S)-1-benzoyl-3-oxo-azepan-4-yl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[[(4S)-1-benzoyl-3-oxo-4-azepanyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[[(4S)-1-benzoyl-3-oxoazepan-4-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-2-[[(4S)-1-benzoyl-3-keto-azepan-4-yl]amino]-1-(cyclohexylmethyl)-2-keto-ethyl]-2-furamide Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O5/c31-23-18-30(27(34)20-11-5-2-6-12-20)15-7-13-21(23)28-25(32)22(17-19-9-3-1-4-10-19)29-26(33)24-14-8-16-35-24/h2,5-6,8,11-12,14,16,19,21-22H,1,3-4,7,9-10,13,15,17-18H2,(H,28,32)(H,29,33)/t21-,22-/m0/s1