(phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-nitropyridin-2-yl)pent-4-ynoate

Systemtic Name: (phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-nitropyridin-2-yl)pent-4-ynoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-5-(5-nitro-2-pyridyl)pent-4-ynoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(5-nitro-2-pyridinyl)-4-pentynoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(5-nitropyridin-2-yl)pent-4-ynoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(5-nitro-2-pyridyl)pent-4-ynoic acid benzyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC#CC1=NC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC#CC1=NC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H23N3O6/c1-22(2,3)31-21(27)24-19(20(26)30-15-16-8-5-4-6-9-16)11-7-10-17-12-13-18(14-23-17)25(28)29/h4-6,8-9,12-14,19H,11,15H2,1-3H3,(H,24,27)/t19-/m0/s1