2-azanyl-3-[[(1R)-1-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-2-ethoxy-2-oxidanylidene-ethyl]disulfanyl]-3-methyl-butanoic acid

Systemtic Name: 2-azanyl-3-[[(1R)-1-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-2-ethoxy-2-oxidanylidene-ethyl]disulfanyl]-3-methyl-butanoic acid Openeye Name: 2-amino-3-[[(1R)-1-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-2-ethoxy-2-oxo-ethyl]disulfanyl]-3-methyl-butanoic acid CAS Name: 2-amino-3-[[(1R)-1-[(2,2-dimethyl-3-nitrooxy-1-oxopropyl)amino]-2-ethoxy-2-oxoethyl]disulfanyl]-3-methylbutanoic acid IUPAC Name: 2-amino-3-[[(1R)-1-[(2,2-dimethyl-3-nitrooxypropanoyl)amino]-2-ethoxy-2-oxoethyl]disulfanyl]-3-methylbutanoic acid Traditional Name: 2-amino-3-[[(1R)-1-[(2,2-dimethyl-3-nitrooxy-propanoyl)amino]-2-ethoxy-2-keto-ethyl]disulfanyl]-3-methyl-butyric acid Formula: C14H25N3O8S2 MolecularWeight: 427.4936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(NC(=O)C(C)(C)CO[N+](=O)[O-])SSC(C)(C)C(C(=O)O)N

Isomeric SMILES

CCOC(=O)[C@H](NC(=O)C(C)(C)CO[N+](=O)[O-])SSC(C)(C)C(C(=O)O)N

InChI

InChI=1S/C14H25N3O8S2/c1-6-24-11(20)9(26-27-14(4,5)8(15)10(18)19)16-12(21)13(2,3)7-25-17(22)23/h8-9H,6-7,15H2,1-5H3,(H,16,21)(H,18,19)/t8?,9-/m1/s1