3-[2-[[1-[2-(2-nitrooxyethylsulfanyl)ethoxy]-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-6,9-dithia-3-azaspiro[4.4]nonane-2-carboxylic acid

Systemtic Name: 3-[2-[[1-[2-(2-nitrooxyethylsulfanyl)ethoxy]-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-6,9-dithia-3-azaspiro[4.4]nonane-2-carboxylic acid Openeye Name: 3-[2-[[1-[2-(2-nitrooxyethylsulfanyl)ethoxycarbonyl]-3-phenyl-propyl]amino]propanoyl]-6,9-dithia-3-azaspiro[4.4]nonane-2-carboxylic acid CAS Name: 3-[2-[[1-[2-(2-nitrooxyethylthio)ethoxy]-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-6,9-dithia-3-azaspiro[4.4]nonane-2-carboxylic acid IUPAC Name: 3-[2-[[1-[2-(2-nitrooxyethylsulfanyl)ethoxy]-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-6,9-dithia-3-azaspiro[4.4]nonane-2-carboxylic acid Traditional Name: 3-[2-[[1-[2-(2-nitrooxyethylthio)ethoxycarbonyl]-3-phenyl-propyl]amino]propanoyl]-6,9-dithia-3-azaspiro[4.4]nonane-2-carboxylic acid Formula: C24H33N3O8S3 MolecularWeight: 587.72912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC2(CC1C(=O)O)SCCS2)NC(CCC3=CC=CC=C3)C(=O)OCCSCCO[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CC2(CC1C(=O)O)SCCS2)NC(CCC3=CC=CC=C3)C(=O)OCCSCCO[N+](=O)[O-]

InChI

InChI=1S/C24H33N3O8S3/c1-17(21(28)26-16-24(37-13-14-38-24)15-20(26)22(29)30)25-19(8-7-18-5-3-2-4-6-18)23(31)34-9-11-36-12-10-35-27(32)33/h2-6,17,19-20,25H,7-16H2,1H3,(H,29,30)