[2-(nitrooxymethyl)phenyl]methyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate

Systemtic Name: [2-(nitrooxymethyl)phenyl]methyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate Openeye Name: [2-(nitrooxymethyl)phenyl]methyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[1-oxopentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid [2-(nitrooxymethyl)phenyl]methyl ester IUPAC Name: [2-(nitrooxymethyl)phenyl]methyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-valeryl-amino]butyric acid [2-(nitrooxymethyl)benzyl] ester Formula: C32H36N6O6 MolecularWeight: 600.66484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)OCC4=CC=CC=C4CO[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)OCC4=CC=CC=C4CO[N+](=O)[O-]

InChI

InChI=1S/C32H36N6O6/c1-4-5-14-29(39)37(30(22(2)3)32(40)43-20-25-10-6-7-11-26(25)21-44-38(41)42)19-23-15-17-24(18-16-23)27-12-8-9-13-28(27)31-33-35-36-34-31/h6-13,15-18,22,30H,4-5,14,19-21H2,1-3H3,(H,33,34,35,36)/t30-/m0/s1