3-nitrooxypropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanoate

Systemtic Name: 3-nitrooxypropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenyl-butanoate Openeye Name: 3-nitrooxypropyl (2S)-2-(tert-butoxycarbonylamino)-4-phenyl-butanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-phenylbutanoic acid 3-nitrooxypropyl ester IUPAC Name: 3-nitrooxypropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-phenyl-butyric acid 3-nitrooxypropyl ester Formula: C18H26N2O7 MolecularWeight: 382.40824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC1=CC=CC=C1)C(=O)OCCCO[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC1=CC=CC=C1)C(=O)OCCCO[N+](=O)[O-]

InChI

InChI=1S/C18H26N2O7/c1-18(2,3)27-17(22)19-15(11-10-14-8-5-4-6-9-14)16(21)25-12-7-13-26-20(23)24/h4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,22)/t15-/m0/s1