ethyl (3S,4R)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitro-heptanoate

Systemtic Name: ethyl (3S,4R)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitro-heptanoate Openeye Name: ethyl (3S,4R)-4-(tert-butoxycarbonylamino)-6-methyl-3-nitro-heptanoate CAS Name: (3S,4R)-6-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-nitroheptanoic acid ethyl ester IUPAC Name: ethyl (3S,4R)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitroheptanoate Traditional Name: (3S,4R)-4-(tert-butoxycarbonylamino)-6-methyl-3-nitro-enanthic acid ethyl ester Formula: C15H28N2O6 MolecularWeight: 332.39262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(CC(C)C)NC(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C[C@@H]([C@@H](CC(C)C)NC(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H28N2O6/c1-7-22-13(18)9-12(17(20)21)11(8-10(2)3)16-14(19)23-15(4,5)6/h10-12H,7-9H2,1-6H3,(H,16,19)/t11-,12+/m1/s1