(2S)-2-azanyl-5-[(3S)-3,4-dinitrooxybutoxy]-5-oxidanylidene-pentanoic acid hydrochloride

Systemtic Name: (2S)-2-azanyl-5-[(3S)-3,4-dinitrooxybutoxy]-5-oxidanylidene-pentanoic acid hydrochloride Openeye Name: (2S)-2-amino-5-[(3S)-3,4-dinitrooxybutoxy]-5-oxo-pentanoic acid hydrochloride CAS Name: (2S)-2-amino-5-[(3S)-3,4-dinitrooxybutoxy]-5-oxopentanoic acid hydrochloride IUPAC Name: (2S)-2-amino-5-[(3S)-3,4-dinitrooxybutoxy]-5-oxopentanoic acid hydrochloride Traditional Name: (2S)-2-amino-5-[(3S)-3,4-dinitrooxybutoxy]-5-keto-valeric acid hydrochloride Formula: C9H16ClN3O10 MolecularWeight: 361.69044

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)OCCC(CO[N+](=O)[O-])O[N+](=O)[O-])C(C(=O)O)N.Cl

Isomeric SMILES

C(CC(=O)OCC[C@@H](CO[N+](=O)[O-])O[N+](=O)[O-])[C@@H](C(=O)O)N.Cl

InChI

InChI=1S/C9H15N3O10.ClH/c10-7(9(14)15)1-2-8(13)20-4-3-6(22-12(18)19)5-21-11(16)17;/h6-7H,1-5,10H2,(H,14,15);1H/t6-,7-;/m0./s1