1H-Indole-2-carboxylicacid, 1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]octahydro-,(2S,3aR,7aS)- (87679-71-8)

This chemical is called Trandolaprilat, and its systematic name is (2S,3aR,7aS)-1-[(2S)-2-{[(1S)-1-carboxy-3-phenylpropyl]amino}propanoyl]octahydro-1H-indole-2-carboxylic acid (non-preferred name). With the molecular formula of C₂₂H₃₀N₂O₅, its molecular weight is 402.48 . The CAS registry number of this chemical is 87679-71-8, and its product categories are Various Metabolites and Impurities; Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; Isotope Labeled Compounds; Trandolapril. In additon, this chemical is pale yellow solid.

Other characteristics of the Trandolaprilat can be summarised as followings: (1)ACD/LogP: 3.09; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 76.15 Å²; (11)Index of Refraction: 1.574; (12)Molar Refractivity: 106.55 cm³; (13)Molar Volume: 322.6 cm³; (14)Polarizability: 42.24×10^-24cm³; (15)Surface Tension: 55.2 dyne/cm; (16)Density: 1.247 g/cm³; (17)Flash Point: 341.2 °C; (18)Enthalpy of Vaporization: 99.39 kJ/mol; (19)Boiling Point: 640.5 °C at 760 mmHg; (20)Vapour Pressure: 2.77E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: O=C(O)[C@@H](N[C@H](C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]12)C)CCc3ccccc3
(2)InChI: InChI=1/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
(3)InChIKey: AHYHTSYNOHNUSH-HXFGRODQBG