[(2S)-2-[[(2S)-2-azanylpropanoyl]carbamoyl]pyrrolidin-1-yl] 4-nitrobenzoate

Systemtic Name: [(2S)-2-[[(2S)-2-azanylpropanoyl]carbamoyl]pyrrolidin-1-yl] 4-nitrobenzoate Openeye Name: [(2S)-2-[[(2S)-2-aminopropanoyl]carbamoyl]pyrrolidin-1-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S)-2-[[[(2S)-2-amino-1-oxopropyl]amino]-oxomethyl]-1-pyrrolidinyl] ester IUPAC Name: [(2S)-2-[[(2S)-2-aminopropanoyl]carbamoyl]pyrrolidin-1-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S)-2-[[(2S)-2-aminopropanoyl]carbamoyl]pyrrolidino] ester Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)C1CCCN1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C[C@@H](C(=O)NC(=O)[C@@H]1CCCN1OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C15H18N4O6/c1-9(16)13(20)17-14(21)12-3-2-8-18(12)25-15(22)10-4-6-11(7-5-10)19(23)24/h4-7,9,12H,2-3,8,16H2,1H3,(H,17,20,21)/t9-,12-/m0/s1