2-(2-methylpropoxycarbonylamino)-3-[[1-(3-nitrophenyl)piperidin-4-yl]carbonylamino]propanoic acid

Systemtic Name: 2-(2-methylpropoxycarbonylamino)-3-[[1-(3-nitrophenyl)piperidin-4-yl]carbonylamino]propanoic acid Openeye Name: 2-(isobutoxycarbonylamino)-3-[[1-(3-nitrophenyl)piperidine-4-carbonyl]amino]propanoic acid CAS Name: 2-[[2-methylpropoxy(oxo)methyl]amino]-3-[[[1-(3-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-(2-methylpropoxycarbonylamino)-3-[[1-(3-nitrophenyl)piperidine-4-carbonyl]amino]propanoic acid Traditional Name: 2-(isobutoxycarbonylamino)-3-[[1-(3-nitrophenyl)isonipecotoyl]amino]propionic acid Formula: C20H28N4O7 MolecularWeight: 436.45892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)NC(CNC(=O)C1CCN(CC1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)COC(=O)NC(CNC(=O)C1CCN(CC1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C20H28N4O7/c1-13(2)12-31-20(28)22-17(19(26)27)11-21-18(25)14-6-8-23(9-7-14)15-4-3-5-16(10-15)24(29)30/h3-5,10,13-14,17H,6-9,11-12H2,1-2H3,(H,21,25)(H,22,28)(H,26,27)