BMS-986189
HIT218847575
sdf文件结构编辑类似物检索
HIT ID: HIT218847575
Cas No: 1629665-96-8
分子式: C91H131N21O21S
分子量: 1887.24
常用名: BMS-986189
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 2-(3-{[(3S,6S,9S,15S,18S,21S,27R,30S,33S,36S,39S,42S,45S,48S,50R)-42-(2-aminoethyl)-6-(aminomethyl)-33,36-dibutyl-15-(carbamoylmethyl)-27-[(carbamoylmethyl)carbamoyl]-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-45-[(1H-indol-3-yl)methyl]-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecaazatricyclo[46.3.0.0^{9,13}]henpentacontan-39-yl]methyl}-1H-indol-1-yl)acetic acid
IUPAC: 2-(3-{[(3S,6S,9S,15S,18S,21S,27R,30S,33S,36S,39S,42S,45S,48S,50R)-42-(2-aminoethyl)-6-(aminomethyl)-33,36-dibutyl-15-(carbamoylmethyl)-27-[(carbamoylmethyl)carbamoyl]-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-45-[(1H-indol-3-yl)methyl]-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecaazatricyclo[46.3.0.0^{9,13}]henpentacontan-39-yl]methyl}-1H-indol-1-yl)acetic acid
SMILES: [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc1cn(CC(O)=O)c3ccccc13)NC(=O)[C@H](CCN)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@]1([H])C[C@@H](O)CN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CN)NC2=O)C(=O)NCC(N)=O
SMILES: [H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCC)N(C)C(=O)[C@H](CCCC)N(C)C(=O)[C@H](Cc1cn(CC(O)=O)c3ccccc13)NC(=O)[C@H](CCN)NC(=O)[C@H](Cc1c[nH]c3ccccc13)NC(=O)[C@]1([H])C[C@@H](O)CN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CN)NC2=O)C(=O)NCC(N)=O
InChI key: RHPNSCBSKKTHPG-UHADKVPGSA-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 ~