(2R)-3-(2-nitrooxyethanoylsulfanyl)-2-[2-(2-nitrooxyphenyl)ethanoylamino]propanoic acid

Systemtic Name: (2R)-3-(2-nitrooxyethanoylsulfanyl)-2-[2-(2-nitrooxyphenyl)ethanoylamino]propanoic acid Openeye Name: (2R)-3-(2-nitrooxyacetyl)sulfanyl-2-[[2-(2-nitrooxyphenyl)acetyl]amino]propanoic acid CAS Name: (2R)-3-[(2-nitrooxy-1-oxoethyl)thio]-2-[[2-(2-nitrooxyphenyl)-1-oxoethyl]amino]propanoic acid IUPAC Name: (2R)-3-(2-nitrooxyacetyl)sulfanyl-2-[[2-(2-nitrooxyphenyl)acetyl]amino]propanoic acid Traditional Name: (2R)-3-[(2-nitrooxyacetyl)thio]-2-[[2-(2-nitrooxyphenyl)acetyl]amino]propionic acid Formula: C13H13N3O10S MolecularWeight: 403.32142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC(=O)NC(CSC(=O)CO[N+](=O)[O-])C(=O)O)O[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CC(=O)N[C@@H](CSC(=O)CO[N+](=O)[O-])C(=O)O)O[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O10S/c17-11(5-8-3-1-2-4-10(8)26-16(23)24)14-9(13(19)20)7-27-12(18)6-25-15(21)22/h1-4,9H,5-7H2,(H,14,17)(H,19,20)/t9-/m0/s1