N-[1-[[1-(butan-2-ylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide

Systemtic Name: N-[1-[[1-(butan-2-ylamino)-1-oxidanylidene-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azepane-1-carboxamide Openeye Name: N-[1-[[1-[(4-benzyloxyphenyl)methyl]-2-oxo-2-(sec-butylamino)ethyl]carbamoyl]-3-methyl-butyl]azepane-1-carboxamide CAS Name: N-[1-[[1-(butan-2-ylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-azepanecarboxamide IUPAC Name: N-[1-[[1-(butan-2-ylamino)-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide Traditional Name: N-[1-[[1-(4-benzoxybenzyl)-2-keto-2-(sec-butylamino)ethyl]carbamoyl]-3-methyl-butyl]azepane-1-carboxamide Formula: C33H48N4O4 MolecularWeight: 564.75862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)N3CCCCCC3

Isomeric SMILES

CCC(C)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)N3CCCCCC3

InChI

InChI=1S/C33H48N4O4/c1-5-25(4)34-31(38)30(22-26-15-17-28(18-16-26)41-23-27-13-9-8-10-14-27)35-32(39)29(21-24(2)3)36-33(40)37-19-11-6-7-12-20-37/h8-10,13-18,24-25,29-30H,5-7,11-12,19-23H2,1-4H3,(H,34,38)(H,35,39)(H,36,40)