Name: (S,R,S)-AHPC-C2-PEG3-BCN
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT218847177
Cas No:2876198-36-4
常用名:(S,R,S)-AHPC-C2-PEG3-BCN
IUPAC:[(1R,8S,9S)-bicyclo[6.1.0]non-4-yn-9-yl]methyl N-(2-{2-[2-(2-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}ethoxy)ethoxy]ethoxy}ethyl)carbamate
IUPAC:[(1R,8S,9S)-bicyclo[6.1.0]non-4-yn-9-yl]methyl N-(2-{2-[2-(2-{[(2S)-1-[(2S,4R)-4-hydroxy-2-({[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}ethoxy)ethoxy]ethoxy}ethyl)carbamate
InChI key:WLQVZOBNMRIBKF-LLQRHEORSA-N

分子式:C42H59N5O9S
分子量:810.02
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCC#CCC[C@]1([H])[C@@H]2COC(=O)NCCOCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C
SMILES:[H][C@@]12CCC#CCC[C@]1([H])[C@@H]2COC(=O)NCCOCCOCCOCCC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)NCc1ccc(cc1)-c1scnc1C)C(C)(C)C

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