Name: MS-4322
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214983310
Cas No:2375432-47-4
常用名:MS-4322
IUPAC:6-{[1-(1-{[(2S)-1-[(2S,4R)-4-hydroxy-2-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}-2,5,8,11,14-pentaoxahexadecanoyl)azetidin-3-yl]amino}-N-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]pyrimidine-4-carboxamide
IUPAC:6-{[1-(1-{[(2S)-1-[(2S,4R)-4-hydroxy-2-{[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl}pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl}-2,5,8,11,14-pentaoxahexadecanoyl)azetidin-3-yl]amino}-N-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]pyrimidine-4-carboxamide
InChI key:XUJMNOQMXWVXQE-STHBVIMFSA-N

分子式:C55H76N10O12S
分子量:1101.33
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1)C(C)(C)C)c1ccc(cc1)-c1scnc1C
SMILES:C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)N1CC(C1)Nc1cc(ncn1)C(=O)NC[C@H](O)CN1CCc2ccccc2C1)C(C)(C)C)c1ccc(cc1)-c1scnc1C

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