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

Systemtic Name: 3-[[4-(3-nitrophenyl)piperazin-1-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[4-(3-nitrophenyl)piperazine-1-carbonyl]amino]propanoic acid CAS Name: 3-[[[4-(3-nitrophenyl)-1-piperazinyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[4-(3-nitrophenyl)piperazine-1-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[4-(3-nitrophenyl)piperazine-1-carbonyl]amino]propionic acid Formula: C22H25N5O7 MolecularWeight: 471.4632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25N5O7/c28-20(29)19(24-22(31)34-15-16-5-2-1-3-6-16)14-23-21(30)26-11-9-25(10-12-26)17-7-4-8-18(13-17)27(32)33/h1-8,13,19H,9-12,14-15H2,(H,23,30)(H,24,31)(H,28,29)