N-[(2S)-1-[[(4S)-1-(cyclohexylmethyl)-3-oxidanyl-7-oxidanylidene-azepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-1-[[(4S)-1-(cyclohexylmethyl)-3-oxidanyl-7-oxidanylidene-azepan-4-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1S)-1-[[(4S)-1-(cyclohexylmethyl)-3-hydroxy-7-oxo-azepan-4-yl]carbamoyl]-3-methyl-butyl]benzofuran-2-carboxamide CAS Name: N-[(2S)-1-[[(4S)-1-(cyclohexylmethyl)-3-hydroxy-7-oxo-4-azepanyl]amino]-4-methyl-1-oxopentan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[(2S)-1-[[(4S)-1-(cyclohexylmethyl)-3-hydroxy-7-oxoazepan-4-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1S)-1-[[(4S)-1-(cyclohexylmethyl)-3-hydroxy-7-keto-azepan-4-yl]carbamoyl]-3-methyl-butyl]coumarilamide Formula: C28H39N3O5 MolecularWeight: 497.62636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCC(=O)N(CC1O)CC2CCCCC2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H]1CCC(=O)N(CC1O)CC2CCCCC2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C28H39N3O5/c1-18(2)14-22(30-28(35)25-15-20-10-6-7-11-24(20)36-25)27(34)29-21-12-13-26(33)31(17-23(21)32)16-19-8-4-3-5-9-19/h6-7,10-11,15,18-19,21-23,32H,3-5,8-9,12-14,16-17H2,1-2H3,(H,29,34)(H,30,35)/t21-,22-,23?/m0/s1