methyl (2S)-5-[[azanyl(nitramido)methylidene]amino]-2-[(3-phenylaziridin-2-yl)methylamino]pentanoate

Systemtic Name: methyl (2S)-5-[[azanyl(nitramido)methylidene]amino]-2-[(3-phenylaziridin-2-yl)methylamino]pentanoate Openeye Name: methyl (2S)-5-[[amino(nitramido)methylene]amino]-2-[(3-phenylaziridin-2-yl)methylamino]pentanoate CAS Name: (2S)-5-[[amino(nitramido)methylidene]amino]-2-[(3-phenyl-2-aziridinyl)methylamino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-5-[[amino(nitramido)methylidene]amino]-2-[(3-phenylaziridin-2-yl)methylamino]pentanoate Traditional Name: (2S)-5-[[amino(nitramido)methylene]amino]-2-[(3-phenylethylenimin-2-yl)methylamino]valeric acid methyl ester Formula: C16H24N6O4 MolecularWeight: 364.39956

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCN=C(N)N[N+](=O)[O-])NCC1C(N1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NCC1C(N1)C2=CC=CC=C2

InChI

InChI=1S/C16H24N6O4/c1-26-15(23)12(8-5-9-18-16(17)21-22(24)25)19-10-13-14(20-13)11-6-3-2-4-7-11/h2-4,6-7,12-14,19-20H,5,8-10H2,1H3,(H3,17,18,21)/t12-,13?,14?/m0/s1