4-nitrooxybutyl (2R)-2-acetamido-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]sulfanyl-propanoate

Systemtic Name: 4-nitrooxybutyl (2R)-2-acetamido-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]sulfanyl-propanoate Openeye Name: 4-nitrooxybutyl (2R)-2-acetamido-3-[(2S)-2-(6-methoxy-2-naphthyl)propanoyl]sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-[[(2S)-2-(6-methoxy-2-naphthalenyl)-1-oxopropyl]thio]propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl (2R)-2-acetamido-3-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-[[(2S)-2-(6-methoxy-2-naphthyl)propanoyl]thio]propionic acid 4-nitrooxybutyl ester Formula: C23H28N2O8S MolecularWeight: 492.54202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)SCC(C(=O)OCCCCO[N+](=O)[O-])NC(=O)C

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)SC[C@@H](C(=O)OCCCCO[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C23H28N2O8S/c1-15(17-6-7-19-13-20(31-3)9-8-18(19)12-17)23(28)34-14-21(24-16(2)26)22(27)32-10-4-5-11-33-25(29)30/h6-9,12-13,15,21H,4-5,10-11,14H2,1-3H3,(H,24,26)/t15-,21-/m0/s1