PROTAC ER Degrader-2
HIT212668252
sdf文件结构编辑类似物检索
HIT ID: HIT212668252
Cas No:
分子式: C89H104N12O15
分子量: 1581.88
常用名: PROTAC ER Degrader-2
氢键受体数 (HBA): 16
氢键供体数 (HBD): 7
LogP: 9.124244
IUPAC: tert-butyl N-[(1S)-1-{[(3S,4S)-5-(4-{[2-(2-{[(2-{4-[(1Z)-1-[4-({4-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methoxy)phenyl]-2-phenylbut-1-en-1-yl]phenoxy}ethyl)(methyl)carbamoyl]methoxy}ethoxy)ethyl]carbamoyl}benzoyl)-7-cyano-1-[(2-methoxynaphthalen-1-yl)methyl]-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]carbamoyl}ethyl]-N-methylcarbamate
IUPAC: tert-butyl N-[(1S)-1-{[(3S,4S)-5-(4-{[2-(2-{[(2-{4-[(1Z)-1-[4-({4-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methoxy)phenyl]-2-phenylbut-1-en-1-yl]phenoxy}ethyl)(methyl)carbamoyl]methoxy}ethoxy)ethyl]carbamoyl}benzoyl)-7-cyano-1-[(2-methoxynaphthalen-1-yl)methyl]-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl]carbamoyl}ethyl]-N-methylcarbamate
SMILES: CC\C(=C(\c1ccc(OCCN(C)C(=O)COCCOCCNC(=O)c2ccc(cc2)C(=O)N2[C@@H](C)[C@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(=O)N(Cc3c(OC)ccc4ccccc34)c3ccc(cc23)C#N)cc1)c1ccc(OCc2ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](N)C(C)C)cc2)cc1)c1ccccc1
SMILES: CC\C(=C(\c1ccc(OCCN(C)C(=O)COCCOCCNC(=O)c2ccc(cc2)C(=O)N2[C@@H](C)[C@H](NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)C(=O)N(Cc3c(OC)ccc4ccccc34)c3ccc(cc23)C#N)cc1)c1ccc(OCc2ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](N)C(C)C)cc2)cc1)c1ccccc1
InChI key: DNJOADSQANNYAY-SCCWQXRBSA-N
共显示1个结果
供应商规格单价货期纯度操作
TargetMol
SC
待询点击询价
TargetMol | Target Loading
正在加载 ~