ethyl 2-[(1-acetyloxy-2-oxidanylidene-6-phenyl-azepan-3-yl)amino]-9-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate

Systemtic Name: ethyl 2-[(1-acetyloxy-2-oxidanylidene-6-phenyl-azepan-3-yl)amino]-9-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate Openeye Name: ethyl 2-[(1-acetoxy-2-oxo-6-phenyl-azepan-3-yl)amino]-9-(tert-butoxycarbonylamino)nonanoate CAS Name: 2-[(1-acetyloxy-2-oxo-6-phenyl-3-azepanyl)amino]-9-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]nonanoic acid ethyl ester IUPAC Name: ethyl 2-[(1-acetyloxy-2-oxo-6-phenylazepan-3-yl)amino]-9-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate Traditional Name: 2-[(1-acetoxy-2-keto-6-phenyl-azepan-3-yl)amino]-9-(tert-butoxycarbonylamino)pelargonic acid ethyl ester Formula: C30H47N3O7 MolecularWeight: 561.71008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCCCCNC(=O)OC(C)(C)C)NC1CCC(CN(C1=O)OC(=O)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CCCCCCCNC(=O)OC(C)(C)C)NC1CCC(CN(C1=O)OC(=O)C)C2=CC=CC=C2

InChI

InChI=1S/C30H47N3O7/c1-6-38-28(36)26(17-13-8-7-9-14-20-31-29(37)39-30(3,4)5)32-25-19-18-24(23-15-11-10-12-16-23)21-33(27(25)35)40-22(2)34/h10-12,15-16,24-26,32H,6-9,13-14,17-21H2,1-5H3,(H,31,37)