Name: DCG04
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318372
Cas No:314263-42-8
常用名:DCG04
别名:DCG-04, DCG 04, CD-892, CD892, CD 892
IUPAC:ethyl (2S,3S)-3-{[(1S)-1-{[(1S)-1-[(5-{[(1S)-5-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-1-carbamoylpentyl]carbamoyl}pentyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}oxirane-2-carboxylate
IUPAC:ethyl (2S,3S)-3-{[(1S)-1-{[(1S)-1-[(5-{[(1S)-5-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-1-carbamoylpentyl]carbamoyl}pentyl)carbamoyl]-2-(4-hydroxyphenyl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}oxirane-2-carboxylate
InChI key:MHOVYDVXSWUHAZ-JWZOSVBYSA-N

分子式:C43H66N8O11S
分子量:903.11
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](NC(=O)CCCCCNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]3O[C@@H]3C(=O)OCC)C(N)=O)[C@@]1([H])NC(=O)N2
SMILES:[H][C@]12CS[C@@H](CCCCC(=O)NCCCC[C@H](NC(=O)CCCCCNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]3O[C@@H]3C(=O)OCC)C(N)=O)[C@@]1([H])NC(=O)N2

DCG04 is a multivalent ligand for the mannose-6-phosphate receptor. DCG-04 is an activity-based probe for cysteine cathepsins, enabled fluorescent readout of its receptor-targeting properties. DCG04 is used for endolysosomal targeting of an activity-based probe.

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