PROTAC CRABP-II Degrader-1
HIT212080528
sdf文件结构编辑类似物检索
HIT ID: HIT212080528
Cas No: 1225383-40-3
分子式: C42H60N4O9
分子量: 764.961
常用名: PROTAC CRABP-II Degrader-1
氢键受体数 (HBA): 10
氢键供体数 (HBD): 5
LogP: 2.4562745
IUPAC: (2E,4E,6E,8E)-9-[(3E)-3-[({[2-(2-{[(2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methylpentanoyl]oxy}ethoxy)ethyl]carbamoyl}methoxy)imino]-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
IUPAC: (2E,4E,6E,8E)-9-[(3E)-3-[({[2-(2-{[(2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methylpentanoyl]oxy}ethoxy)ethyl]carbamoyl}methoxy)imino]-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
SMILES: CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)OCCOCCNC(=O)CO\N=C1/CCC(C)(C)C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)=C1C |c:53|
SMILES: CC(C)C[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)OCCOCCNC(=O)CO\N=C1/CCC(C)(C)C(\C=C\C(\C)=C\C=C\C(\C)=C\C(O)=O)=C1C |c:53|
InChI key: XEMRMMAFXLINDA-XVCXXHFGSA-N
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