4-nitrooxybutyl (2R)-2-acetamido-3-[(2S)-2-(4-propan-2-ylphenyl)propanoyl]sulfanyl-propanoate

Systemtic Name: 4-nitrooxybutyl (2R)-2-acetamido-3-[(2S)-2-(4-propan-2-ylphenyl)propanoyl]sulfanyl-propanoate Openeye Name: 4-nitrooxybutyl (2R)-2-acetamido-3-[(2S)-2-(4-isopropylphenyl)propanoyl]sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[[(2S)-1-oxo-2-(4-propan-2-ylphenyl)propyl]thio]propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl (2R)-2-acetamido-3-[(2S)-2-(4-propan-2-ylphenyl)propanoyl]sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[[(2S)-2-p-cumenylpropanoyl]thio]propionic acid 4-nitrooxybutyl ester Formula: C21H30N2O7S MolecularWeight: 454.5371

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C(C)C)C(=O)SC[C@@H](C(=O)OCCCCO[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C21H30N2O7S/c1-14(2)17-7-9-18(10-8-17)15(3)21(26)31-13-19(22-16(4)24)20(25)29-11-5-6-12-30-23(27)28/h7-10,14-15,19H,5-6,11-13H2,1-4H3,(H,22,24)/t15-,19-/m0/s1