dimethyl 2-(3-azidopropyl)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butyl]propanedioate

Systemtic Name: dimethyl 2-(3-azidopropyl)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butyl]propanedioate Openeye Name: dimethyl 2-(3-azidopropyl)-2-[(3S)-3-(tert-butoxycarbonylamino)-4-phenyl-butyl]propanedioate CAS Name: 2-(3-azidopropyl)-2-[(3S)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(3-azidopropyl)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]propanedioate Traditional Name: 2-(3-azidopropyl)-2-[(3S)-3-(tert-butoxycarbonylamino)-4-phenyl-butyl]malonic acid dimethyl ester Formula: C23H34N4O6 MolecularWeight: 462.53926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(CCCN=[N+]=[N-])(C(=O)OC)C(=O)OC)CC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(CCCN=[N+]=[N-])(C(=O)OC)C(=O)OC)CC1=CC=CC=C1

InChI

InChI=1S/C23H34N4O6/c1-22(2,3)33-21(30)26-18(16-17-10-7-6-8-11-17)12-14-23(19(28)31-4,20(29)32-5)13-9-15-25-27-24/h6-8,10-11,18H,9,12-16H2,1-5H3,(H,26,30)/t18-/m0/s1