(2S)-5-(5-nitropyridin-2-yl)-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: (2S)-5-(5-nitropyridin-2-yl)-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-5-(5-nitro-2-pyridyl)pentanoic acid CAS Name: (2S)-5-(5-nitro-2-pyridinyl)-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-5-(5-nitropyridin-2-yl)-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-(5-nitro-2-pyridyl)valeric acid Formula: C18H19N3O6 MolecularWeight: 373.35996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCC2=NC=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CCCC2=NC=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C18H19N3O6/c22-17(23)16(20-18(24)27-12-13-5-2-1-3-6-13)8-4-7-14-9-10-15(11-19-14)21(25)26/h1-3,5-6,9-11,16H,4,7-8,12H2,(H,20,24)(H,22,23)/t16-/m0/s1