Tilarginine citrate
PubChem CID: 54584654
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| Compound Synonyms | Tilarginine citrate, L-NMMA (citrate), L-Ng-monomethyl arginine citrate, 209913-88-2, O529X01226, UNII-O529X01226, L-Ornithine, N5-(imino(methylamino)methyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1), HY-18732B, AKOS040745223, CS-0085487, N5-[imino(methylamino)methyl]-L-ornithine,citrate, Q27285339, (2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid, 2-hydroxypropane-1,2,3-tricarboxylic acid |
|---|---|
| Topological Polar Surface Area | 246.0 |
| Hydrogen Bond Donor Count | 8.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 420.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid, 2-hydroxypropane-1,2,3-tricarboxylic acid |
| Nih Violation | True |
| Prediction Hob | 0.0 |
| Is Pains | False |
| Molecular Formula | C13H24N4O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YKWLPIRSUICUFT-JEDNCBNOSA-N |
| Fcsp3 | 0.6153846153846154 |
| Rotatable Bond Count | 11.0 |
| Compound Name | Tilarginine citrate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 380.154 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 380.154 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 380.35 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 2.014705199999999 |
| Inchi | InChI=1S/C7H16N4O2.C6H8O7/c1-10-7(9)11-4-2-3-5(8)6(12)13, 7-3(8)1-6(13,5(11)12)2-4(9)10/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11), 13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t5-, /m0./s1 |
| Smiles | CN=C(N)NCCC[C@@H](C(=O)O)N.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyanthillium Cinereum (Plant) Rel Props:Source_db:cmaup_ingredients