(2R)-3-methyl-2-[[4-[2-[2-[1-(3-nitrooxypropoxycarbonyloxy)ethyl]-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl-pentanoyl-amino]butanoic acid

Systemtic Name: (2R)-3-methyl-2-[[4-[2-[2-[1-(3-nitrooxypropoxycarbonyloxy)ethyl]-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl-pentanoyl-amino]butanoic acid Openeye Name: (2R)-3-methyl-2-[[4-[2-[2-[1-(3-nitrooxypropoxycarbonyloxy)ethyl]tetrazol-5-yl]phenyl]phenyl]methyl-pentanoyl-amino]butanoic acid CAS Name: (2R)-3-methyl-2-[[4-[2-[2-[1-[3-nitrooxypropoxy(oxo)methoxy]ethyl]-5-tetrazolyl]phenyl]phenyl]methyl-(1-oxopentyl)amino]butanoic acid IUPAC Name: (2R)-3-methyl-2-[[4-[2-[2-[1-(3-nitrooxypropoxycarbonyloxy)ethyl]tetrazol-5-yl]phenyl]phenyl]methyl-pentanoylamino]butanoic acid Traditional Name: (2R)-3-methyl-2-[[4-[2-[2-[1-(3-nitrooxypropoxycarbonyloxy)ethyl]tetrazol-5-yl]phenyl]benzyl]-valeryl-amino]butyric acid Formula: C30H38N6O9 MolecularWeight: 626.65752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NN(N=N3)C(C)OC(=O)OCCCO[N+](=O)[O-])C(C(C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C30H38N6O9/c1-5-6-12-26(37)34(27(20(2)3)29(38)39)19-22-13-15-23(16-14-22)24-10-7-8-11-25(24)28-31-33-35(32-28)21(4)45-30(40)43-17-9-18-44-36(41)42/h7-8,10-11,13-16,20-21,27H,5-6,9,12,17-19H2,1-4H3,(H,38,39)/t21?,27-/m1/s1