Basic information
- CAS
174740-40-0- Standard SMILES
C=C(C)[C@@H]1CC[C@]2(C(=O)NCC(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12- InChIKey
NHZWWMLZMGWNPU-ZZJQNEBHSA-N- Molecular formula
- C32H51NO4
- Average molar mass
- 513.8 g/mol
- Monoisotopic mass
- 513.38180911
Names & identifiers
- Preferred name
- N-(3beta-Hydroxylup-20(29)-en-28-oyl)glycine
- IUPAC
- 2-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]acetic acid
- English name
- Betulinic acid gly deriv.
- Molecular formula
- C32H51NO4
- Molecular weight
- 513.75164
Names & synonyms
174740-40-0N-(3beta-Hydroxylup-20(29)-en-28-oyl)glycineBetulinic glycine amideBetulinic acid gly deriv.CHEMBL4292042-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]acetic acidGlycine, N-((3beta)-3-hydroxy-28-oxolup-20(29)-en-28-yl)-2-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]amino]acetic acidorb2283249SCHEMBL14871947DTXSID40938555BDBM50303478
Show more names
HY-169479T85009N-[3.beta.-Hydroxylup-20(29)-en-28-oyl]glycineN-[3-hydroxy-28-oxolup-20(29)-en-28-yl]glycineN-[3,28-Dihydroxylup-20(29)-en-28-ylidene]glycineN-[3beta,28-Dihydroxylup-20(29)-en-28-ylidene]glycineGlycine, N-[(3.beta.)-3-hydroxy-28-oxolup-20(29)-en-28-yl]-[((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-Hydroxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysene-3a-carbonyl)-amino]-acetic acid
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 989
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- solubility
- 30 mg/ml,DMSO: · DMF: 30 mg/ml,DMSO: 10 mg/ml,Ethanol: 15 mg/ml
- form
- A crystalline solid
Chemistry & industry
Applications
UsesBetulinic glycine amide (compound 5a) is a pentacyclic triterpenoid and derivative of Betulinic acid (HY-10529). Betulinic glycine amide has been used as a precursor in the synthesis of betulinic acid derivatives with anticancer and antiviral activity[1].
Suppliers6 total
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
ChemeGen 中国18818260767 · [email protected]
北京百奥创新科技有限公司15522676233 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
泰兴市海川生物科技有限公司19353112242 · [email protected]
Related reactions
0 records
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Compound notes
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