Enalapril
PubChem CID: 5388962
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| Compound Synonyms | enalapril, 75847-73-3, Enalaprila, Enalaprilum, Enalapril Richet, Vasotec, Bonuten, Gadopril, Olinapril, analapril, Enaladex, Enalaprilum [INN-Latin], Enalaprila [INN-Spanish], UNII-69PN84IO1A, Enalapril (INN), 69PN84IO1A, CHEBI:4784, DTXSID5022982, C09AA02, CHEMBL578, (S)-1-(N-(1-(Ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-L-proline, 1-(N-((S)-1-Carboxy-3-phenylpropyl)-L-alanyl)-L-proline 1'-ethyl ester, DTXCID202982, (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid, L-Proline, N-[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-, NCGC00021569-04, ENALAPRIL [INN], Enalaprilum (INN-Latin), L-Proline, 1-(N-(1-(ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-, (S)-, Enalaprila (INN-Spanish), ENALAPRIL (MART.), ENALAPRIL [MART.], (2S)-1-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]pyrrolidine-2-carboxylic acid, (S)-1-{(S)-2-[1-((S)-Ethoxycarbonyl)-3-phenyl-propylamino]-propionyl}-pyrrolidine-2-carboxylic acid, ((S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanyl-L-proline, N-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-L-alanyl-L-proline, 76095-16-4, HSDB 6529, Enalapril (TN), (S)-1-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)pyrrolidine-2-carboxylic acid, CAS-75847-73-3, Enalapril [INN:BAN], L-Proline, N-((1S)-1-(ethoxycarbonyl)-3-phenylpropyl)-L-alanyl-, N-((2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl)-L-alanyl-L-proline, (S)-1-((S)-2-(1-((S)-Ethoxycarbonyl)-3-phenyl-propylamino)-propionyl)-pyrrolidine-2-carboxylic acid, Enalaprilum (Latin), Enalapril, AldrichCPR, Spectrum_001307, ENALAPRIL [MI], SCHEMBL18, Prestwick3_000314, Spectrum2_001455, Spectrum3_001478, Spectrum4_000008, Spectrum5_001107, ENALAPRIL [VANDF], ENALAPRIL [WHO-DD], BSPBio_000308, BSPBio_003035, KBioGR_000355, KBioSS_001787, BIDD:GT0751, DivK1c_000408, SPBio_001349, BPBio1_000340, GTPL6322, KBio1_000408, KBio2_001787, KBio2_004355, KBio2_006923, KBio3_002535, NINDS_000408, HMS2090E08, HY-B0331, Tox21_110872, BDBM50017129, N-{(1S)-1-[(ethyloxy)carbonyl]-3-phenylpropyl}-L-alanyl-L-proline, AKOS025310615, Tox21_110872_1, DB00584, IDI1_000408, NCGC00016932-01, NCGC00021569-05, NCGC00021569-06, NCGC00021569-09, SBI-0051691.P002, CAS-76095-16-4, NS00008385, C06977, D07892, H10947, AB00053615-17, AB00053615-18, AB00053615_19, AB00053615_20, EN300-7481394, Q422185, BRD-K57545991-050-16-5, BRD-K57545991-050-23-1, BRD-K57545991-050-24-9, N-((1S)-1-(ethoxycarbonyl)-3-phenylpropyl)-L-alanyl-, N-(1(S)-Ethoxycarbonyl-3-phenylpropyl)-L-alanyl-L-proline, N-[1-(S)-ethoxycarbonyl-3-phenylpropyl]-L-alanyl-L-proline, N-[(2S)-1-Ethoxy-1-oxo-4-phenyl-2-butanyl]-L-alanyl-L-proline, Nalpha -[(S)-1-ethoxycarbonyl-3-phenylpropyl]-L-alanyl-L-proline, (S)-1-[N-[1-(ethoxycarbonyl)-3- phenylpropyl]-L-alanyl]-L-proline, (SSS)1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid, 1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid, (S)-1-((S)-2-(((S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl)amino)propanoyl)pyrrolidine-2-carboxylicacid, (S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-ylamino)propanoyl)pyrrolidine-2-carboxylic acid, (S)-1-[(R)-2-((R)-1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid, (S,S,S)-1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid, 1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid (Enalapril), 1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid(enalapril), 2-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid(enalapril) |
|---|---|
| Topological Polar Surface Area | 95.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 519.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT1166, NPT1237 |
| Xlogp | -0.1 |
| Molecular Formula | C20H28N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GBXSMTUPTTWBMN-XIRDDKMYSA-N |
| Fcsp3 | 0.55 |
| Logs | -1.824 |
| Rotatable Bond Count | 10.0 |
| Logd | 0.738 |
| Compound Name | Enalapril |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 376.2 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.2 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 376.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.568353044444446 |
| Inchi | InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17-/m0/s1 |
| Smiles | CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhus Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients