HIT ID: HIT218847177
Cas No: 2876198-36-4
分子式: C42H59N5O9S
分子量: 810.02
常用名: (S,R,S)-AHPC-C2-PEG3-BCN
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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
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
InChI key: WLQVZOBNMRIBKF-LLQRHEORSA-N
