Basic information
- CAS
208940-40-3- Standard SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C(=O)O)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CS)C(=O)O- InChIKey
XKYQOVYBVHBDGP-XKQRCBBTSA-N- Molecular formula
- C36H58N6O14S
- Average molar mass
- 830.9 g/mol
Names & identifiers
- Preferred name
- Ac-D-DGla-LI-Cha-C
- IUPAC
- 2-[(2R)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-3-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]propanedioic acid
- English name
- AC-ASP-D-GLA-LEU-ILE-BETA-CYCLOHEXYL-ALA-CYS-OH
- Molecular formula
- C36H58N6O14S
- Molecular weight
- 830.95
Names & synonyms
Ac-D-DGla-LI-Cha-C208940-40-3CHEMBL23695892-[(2R)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-3-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-oxopropyl]propanedioic acidAc-Asp-D-Gla-Leu-Ile-b-cyclohexyl-Ala-Cys-OHAc-Asp-DGla-Leu-Ile-b-cyclohexyl-Ala-Cysorb1980917Ac-D-d-Gla-L-I-Cha-C-OHHY-P4040BDBM50366760Ac-Asp-D-D-Gla-Leu-Ile-Cha-Cys-OHFA111086
Show more names
AC-ASP-DGLA-LEU-ILE-CHA-CYSAC-ASP-D-GLA-LEU-ILE-CHA-CYS-OHAc-D-d-Gla-LI-β-cyclohexyl-AC-OHN-Ac-D-d-Gla-LI-β-Cyclohexyl-AC-OHAc-Asp-DGla-Leu-Ile-β-cyclohexyl-Ala-Cys1:PN:WO2009033659 PAGE:102 claimed proteinAC-ASP-DGLA-LEU-ILE-BETA-CYCLOHEXYL-ALA-CYS
CS-0635456T76526Ac-Asp-D-gamma-Carboxyglutamic acid-Leu-Ile-beta-Cyclohexylalanine-Cys-OHAcetyl-Aspartic acid-D-.gamma.-carboxy glutamic acid-Leucine-Isoleucine-.beta.-Cyclohexylalanine-Cysteine
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 325 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 25
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,460
Physicochemical properties
- Boiling point
- 1254.2 · 1254.2±65.0 °C(Predicted)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 2.55 · 2.55±0.34(Predicted)
Chemistry & industry
Applications
UsesAc-D-DGla-LI-Cha-C is a potent HCV protease inhibitor peptide. Ac-D-DGla-LI-Cha-C can be used for the research of cancer, autoimmune diseases, fibrotic diseases, inflammatory diseases, neurodegenerative diseases, infectious diseases, lung diseases, heart and vascular diseases and metabolic diseases[1].
Suppliers26 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]
南京昱盛康生物科技有限公司13327808530 · [email protected]
上海鸿肽生物科技有限公司15318089928 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
杭州思诺达医药科技有限责任公司0571-87213919 17306812703 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Chengdu Youngshe Chemical Co., Ltd.+86-18108235634 · [email protected]
太原百利恒康生物技术有限公司19135651983 · [email protected]
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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