Name: ASP5286
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218850926
Cas No:935735-70-9
常用名:ASP5286
IUPAC:(3R,6S,9R,15S,18S,21R,24S,27S,30S,33S)-9-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6-[(1R)-1-hydroxyethyl]-33-[(1R)-1-methoxyethyl]-1,3,4,10,13,19,21,24,28-nonamethyl-15,18,27,30-tetrakis(2-methylpropyl)-12-(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
IUPAC:(3R,6S,9R,15S,18S,21R,24S,27S,30S,33S)-9-[(1R,2R,4E)-1-hydroxy-2-methylhex-4-en-1-yl]-6-[(1R)-1-hydroxyethyl]-33-[(1R)-1-methoxyethyl]-1,3,4,10,13,19,21,24,28-nonamethyl-15,18,27,30-tetrakis(2-methylpropyl)-12-(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecone
InChI key:MRNNXUQYWPWWHD-CFAWMWRXSA-N

分子式:C62H111N11O14
分子量:1234.633
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@]([H])([C@@H](C)OC)N(C)C(=O)[C@@H](C)N(C)C1=O)[C@@H](C)O
SMILES:[H][C@]1(NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@]([H])([C@@H](C)OC)N(C)C(=O)[C@@H](C)N(C)C1=O)[C@@H](C)O

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