Merotocin
HIT212693058
sdf文件结构编辑类似物检索
HIT ID: HIT212693058
Cas No: 1190083-57-8
分子式: C48H68FN11O12S
分子量: 1042.2
常用名: Merotocin
氢键受体数 (HBA): 12
氢键供体数 (HBD): 11
LogP: -2.4802442
IUPAC: (2S)-2-(2-{1-[(3R,6S,9S,12S,15S)-12-[(2S)-butan-2-yl]-9-(2-carbamoylethyl)-6-(carbamoylmethyl)-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-3-yl]-N-[(4-fluorophenyl)methyl]formamido}acetamido)-N-(carbamoylmethyl)-4-methylpentanamide
IUPAC: (2S)-2-(2-{1-[(3R,6S,9S,12S,15S)-12-[(2S)-butan-2-yl]-9-(2-carbamoylethyl)-6-(carbamoylmethyl)-15-[(4-hydroxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-3-yl]-N-[(4-fluorophenyl)methyl]formamido}acetamido)-N-(carbamoylmethyl)-4-methylpentanamide
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccc(F)cc1
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc1ccc(F)cc1
InChI key: PVVHQWISMVJHFK-NIFJBHDKSA-N
共显示1个结果
供应商规格单价货期纯度操作
TargetMol
SC
10600 购物车
TargetMol | Target Loading
正在加载 ~