4-nitrooxybutyl 2-acetamido-3-[2-[4-(2-methylpropyl)phenyl]propanoylsulfanyl]propanoate

Systemtic Name: 4-nitrooxybutyl 2-acetamido-3-[2-[4-(2-methylpropyl)phenyl]propanoylsulfanyl]propanoate Openeye Name: 4-nitrooxybutyl 2-acetamido-3-[2-(4-isobutylphenyl)propanoylsulfanyl]propanoate CAS Name: 2-acetamido-3-[[2-[4-(2-methylpropyl)phenyl]-1-oxopropyl]thio]propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-acetamido-3-[2-[4-(2-methylpropyl)phenyl]propanoylsulfanyl]propanoate Traditional Name: 2-acetamido-3-[2-(4-isobutylphenyl)propanoylthio]propionic acid 4-nitrooxybutyl ester Formula: C22H32N2O7S MolecularWeight: 468.56368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)SCC(C(=O)OCCCCO[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)SCC(C(=O)OCCCCO[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C22H32N2O7S/c1-15(2)13-18-7-9-19(10-8-18)16(3)22(27)32-14-20(23-17(4)25)21(26)30-11-5-6-12-31-24(28)29/h7-10,15-16,20H,5-6,11-14H2,1-4H3,(H,23,25)