[(1S)-1-[(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoyl]oxyethyl] (1R,3S,4S)-3-methoxy-4-nitrooxy-cyclopentane-1-carboxylate

Systemtic Name: [(1S)-1-[(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoyl]oxyethyl] (1R,3S,4S)-3-methoxy-4-nitrooxy-cyclopentane-1-carboxylate Openeye Name: [(1S)-1-[(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoyl]oxyethyl] (1R,3S,4S)-3-methoxy-4-nitrooxy-cyclopentanecarboxylate CAS Name: (1R,3S,4S)-3-methoxy-4-nitrooxy-1-cyclopentanecarboxylic acid [(1S)-1-[(2S)-3-methyl-1-oxo-2-[1-oxopentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butoxy]ethyl] ester IUPAC Name: [(1S)-1-[(2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoyl]oxyethyl] (1R,3S,4S)-3-methoxy-4-nitrooxycyclopentane-1-carboxylate Traditional Name: (1R,3S,4S)-3-methoxy-4-nitrooxy-cyclopentanecarboxylic acid [(1S)-1-[(2S)-3-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-valeryl-amino]butanoyl]oxyethyl] ester Formula: C33H42N6O9 MolecularWeight: 666.72138

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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)OC(C)OC(=O)C4CC(C(C4)O[N+](=O)[O-])OC

Isomeric SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)[C@@H](C(C)C)C(=O)O[C@@H](C)OC(=O)[C@@H]4C[C@@H]([C@H](C4)O[N+](=O)[O-])OC

InChI

InChI=1S/C33H42N6O9/c1-6-7-12-29(40)38(19-22-13-15-23(16-14-22)25-10-8-9-11-26(25)31-34-36-37-35-31)30(20(2)3)33(42)47-21(4)46-32(41)24-17-27(45-5)28(18-24)48-39(43)44/h8-11,13-16,20-21,24,27-28,30H,6-7,12,17-19H2,1-5H3,(H,34,35,36,37)/t21-,24+,27-,28-,30-/m0/s1