CAS Registry Number®
87679-71-8
CAS Name
Trandolaprilat
Molecular Formula
C22H30N2O5
Molecular Mass
402.48
Other Names and Identifiers
InChI
InChI=1S/C22H30N2O5/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29)/t14-,16+,17-,18-,19-/m0/s1
InChIKey
InChIKey=AHYHTSYNOHNUSH-HXFGRODQSA-N
SMILES
C([C@@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C)(=O)N2[C@@]3([C@@](C[C@H]2C(O)=O)(CCCC3)[H])[H]
Canonical SMILES
O=C(O)C(NC(C(=O)N1C(C(=O)O)CC2CCCCC12)C)CCC=3C=CC=CC3
Other Names for this Substance
- 1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, (2S,3aR,7aS)-
- 1H-Indole-2-carboxylic acid, 1-[2-[(1-carboxy-3-phenylpropyl)amino]-1-oxopropyl]octahydro-, [2S-[1[R*(R*)],2α,3aα,7aβ]]-
- (2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic acid
- Trandolaprilat
- RU 44403
- Trandolaprilate
Deleted or Replaced CAS Registry Numbers
114612-74-7