(2S)-2-azanyl-5-[4-[2-(4-nitrophenoxy)ethanoyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[4-[2-(4-nitrophenoxy)ethanoyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-[2-(4-nitrophenoxy)-1-oxoethyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-[2-(4-nitrophenoxy)acetyl]piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[4-[2-(4-nitrophenoxy)acetyl]piperazino]valeric acid Formula: C17H22N4O7 MolecularWeight: 394.37918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(C(=O)O)N)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CC[C@@H](C(=O)O)N)C(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O7/c18-14(17(24)25)5-6-15(22)19-7-9-20(10-8-19)16(23)11-28-13-3-1-12(2-4-13)21(26)27/h1-4,14H,5-11,18H2,(H,24,25)/t14-/m0/s1