1-[2-[[1-(5-nitrooxypentoxy)-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

Systemtic Name: 1-[2-[[1-(5-nitrooxypentoxy)-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid Openeye Name: 1-[2-[[1-(5-nitrooxypentoxycarbonyl)-3-phenyl-propyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid CAS Name: 1-[2-[[1-(5-nitrooxypentoxy)-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid IUPAC Name: 1-[2-[[1-(5-nitrooxypentoxy)-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid Traditional Name: 1-[2-[[1-(5-nitrooxypentoxycarbonyl)-3-phenyl-propyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid Formula: C27H39N3O8 MolecularWeight: 533.61386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C2CCCCC2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)OCCCCCO[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1C2CCCCC2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)OCCCCCO[N+](=O)[O-]

InChI

InChI=1S/C27H39N3O8/c1-19(25(31)29-23-13-7-6-12-21(23)18-24(29)26(32)33)28-22(15-14-20-10-4-2-5-11-20)27(34)37-16-8-3-9-17-38-30(35)36/h2,4-5,10-11,19,21-24,28H,3,6-9,12-18H2,1H3,(H,32,33)