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

Systemtic Name: 5-nitrooxypentyl (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoate Openeye Name: 5-nitrooxypentyl (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 5-nitrooxypentyl ester IUPAC Name: 5-nitrooxypentyl (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 5-nitrooxypentyl ester Formula: C29H38N6O6 MolecularWeight: 566.64862

Click to see the large picture

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)OCCCCCO[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)OCCCCCO[N+](=O)[O-]

InChI

InChI=1S/C29H38N6O6/c1-4-5-13-26(36)34(27(21(2)3)29(37)40-18-9-6-10-19-41-35(38)39)20-22-14-16-23(17-15-22)24-11-7-8-12-25(24)28-30-32-33-31-28/h7-8,11-12,14-17,21,27H,4-6,9-10,13,18-20H2,1-3H3,(H,30,31,32,33)/t27-/m0/s1