(4-nitrophenyl) (2S)-5-azanyl-5-oxidanylidene-2-(pyridin-4-ylmethoxycarbonylamino)pentanoate

Systemtic Name: (4-nitrophenyl) (2S)-5-azanyl-5-oxidanylidene-2-(pyridin-4-ylmethoxycarbonylamino)pentanoate Openeye Name: (4-nitrophenyl) (2S)-5-amino-5-oxo-2-(4-pyridylmethoxycarbonylamino)pentanoate CAS Name: (2S)-5-amino-5-oxo-2-[[oxo(pyridin-4-ylmethoxy)methyl]amino]pentanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-5-amino-5-oxo-2-(pyridin-4-ylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-5-amino-5-keto-2-(4-pyridylmethoxycarbonylamino)valeric acid (4-nitrophenyl) ester Formula: C18H18N4O7 MolecularWeight: 402.35812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)C(CCC(=O)N)NC(=O)OCC2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)[C@H](CCC(=O)N)NC(=O)OCC2=CC=NC=C2

InChI

InChI=1S/C18H18N4O7/c19-16(23)6-5-15(21-18(25)28-11-12-7-9-20-10-8-12)17(24)29-14-3-1-13(2-4-14)22(26)27/h1-4,7-10,15H,5-6,11H2,(H2,19,23)(H,21,25)/t15-/m0/s1