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

Systemtic Name: 3-[[1-(3-nitrophenyl)piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[1-(3-nitrophenyl)piperidine-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-(3-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[1-(3-nitrophenyl)piperidine-4-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[1-(3-nitrophenyl)isonipecotoyl]amino]propionic acid Formula: C23H26N4O7 MolecularWeight: 470.47514

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O7/c28-21(17-9-11-26(12-10-17)18-7-4-8-19(13-18)27(32)33)24-14-20(22(29)30)25-23(31)34-15-16-5-2-1-3-6-16/h1-8,13,17,20H,9-12,14-15H2,(H,24,28)(H,25,31)(H,29,30)