Name: Pezulepistat
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT220772896
Cas No:2562303-35-7
常用名:Pezulepistat
IUPAC:(8S,11S,14S)-14-[(2S)-2-{[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]formamido}-N-methyl-3-(sulfamoylamino)propanamido]-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1^{2,6}]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid
IUPAC:(8S,11S,14S)-14-[(2S)-2-{[4-amino-2-(4-tert-butylphenyl)-6-methylpyrimidin-5-yl]formamido}-N-methyl-3-(sulfamoylamino)propanamido]-3,17-bis[(2R)-3-amino-2-hydroxypropoxy]-18-hydroxy-11-methyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.1^{2,6}]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid
InChI key:InChIKey=MWMUFQHFVZYJCC-CPJAVKDOSA-N

分子式:C46H61N11O13S
分子量:1008.12
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@H]1NC(=O)[C@@H](N(C)C(=O)[C@H](CNS(N)(=O)=O)NC(=O)c2c(C)nc(nc2N)-c2ccc(cc2)C(C)(C)C)c2cc(OC[C@H](O)CN)c(O)c(c2)-c2cc(C[C@H](NC1=O)C(O)=O)ccc2OC[C@H](O)CN
SMILES:C[C@@H]1NC(=O)[C@@H](N(C)C(=O)[C@H](CNS(N)(=O)=O)NC(=O)c2c(C)nc(nc2N)-c2ccc(cc2)C(C)(C)C)c2cc(OC[C@H](O)CN)c(O)c(c2)-c2cc(C[C@H](NC1=O)C(O)=O)ccc2OC[C@H](O)CN

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