| Drug Name |
H-2',6'-dimethyltyrosine-Tic-OH
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| Synonyms |
CHEMBL571492; 2,6-Dimethyl-L-Tyr-L-Tic-OH; BDBM50299565; H-2'',6''-dimethyltyrosine-Tic-OH; (S)-2-((S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
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| Drug Type |
Small molecular drug
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| Structure |
|
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3D MOL
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2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
368.4 |
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| Logarithm of the Partition Coefficient (xlogp) |
0.1 |
| Rotatable Bond Count (rotbonds) |
4 |
| Hydrogen Bond Donor Count (hbonddonor) |
3 |
| Hydrogen Bond Acceptor Count (hbondacc) |
5 |
| Chemical Identifiers |
- Formula
- C21H24N2O4
- IUPAC Name
(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid - Canonical SMILES
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CC1=CC(=CC(=C1C[C@@H](C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)O)N)C)O
- InChI
-
InChI=1S/C21H24N2O4/c1-12-7-16(24)8-13(2)17(12)10-18(22)20(25)23-11-15-6-4-3-5-14(15)9-19(23)21(26)27/h3-8,18-19,24H,9-11,22H2,1-2H3,(H,26,27)/t18-,19-/m0/s1
- InChIKey
-
QBLVXTMPLLWZDE-OALUTQOASA-N
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| Cross-matching ID |
- PubChem CID
- 15384271
- TTD ID
- D09GQP
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