methyl 2-(cyanomethoxy)-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-(pentylamino)propyl]benzoate

Systemtic Name: methyl 2-(cyanomethoxy)-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-3-(pentylamino)propyl]benzoate Openeye Name: methyl 5-[(2S)-2-(tert-butoxycarbonylamino)-3-oxo-3-(pentylamino)propyl]-2-(cyanomethoxy)benzoate CAS Name: 2-(cyanomethoxy)-5-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxo-3-(pentylamino)propyl]benzoic acid methyl ester IUPAC Name: methyl 2-(cyanomethoxy)-5-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-(pentylamino)propyl]benzoate Traditional Name: 5-[(2S)-3-(amylamino)-2-(tert-butoxycarbonylamino)-3-keto-propyl]-2-(cyanomethoxy)benzoic acid methyl ester Formula: C23H33N3O6 MolecularWeight: 447.52462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CC1=CC(=C(C=C1)OCC#N)C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCNC(=O)[C@H](CC1=CC(=C(C=C1)OCC#N)C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H33N3O6/c1-6-7-8-12-25-20(27)18(26-22(29)32-23(2,3)4)15-16-9-10-19(31-13-11-24)17(14-16)21(28)30-5/h9-10,14,18H,6-8,12-13,15H2,1-5H3,(H,25,27)(H,26,29)/t18-/m0/s1