methyl 2-[[6-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-6-oxohexanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
基本情報
- CAS
304665-63-2- 標準SMILES
COC(=O)c1c(NC(=O)CCCCC(=O)Nc2sc3c(c2C(=O)OC)CCC3)sc2c1CCC2- InChIKey
MHGCACNARSBZHG-UHFFFAOYSA-N- 分子式
- C24H28N2O6S2
- 平均分子量
- 504.6 g/mol
名称と識別子
- 優先名称
- methyl 2-[[6-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-6-oxohexanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- methyl 2-[[6-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-6-oxohexanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- 英語名
- dimethyl 2,2'-[(1,6-dioxo-1,6-hexanediyl)di(imino)]bis(5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate)
- 分子式
- C24H28N2O6S2
- 分子量
- 504.62
名称と別名
dimethyl 2,2'-[(1,6-dioxohexane-1,6-diyl)diimino]bis(5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate)STK098362AKOS000485164methyl 2-[[6-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-6-oxohexanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateAN-329/40256249SR-01000493528SR-01000493528-1METHYL 2-(5-{[3-(METHOXYCARBONYL)-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL]CARBAMOYL}PENTANAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATEmethyl2-[(6-{[3-(methoxycarbonyl)-5,6-dihydro-4H-cyclopenta[b]thien-2-yl]amino}-6-oxohexanoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylatedimethyl 2,2'-[(1,6-dioxo-1,6-hexanediyl)di(imino)]bis(5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate)4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2,2'-[(1,6-dioxo-1,6-hexanediyl)diimino]bis[5,6-dihydro-, dimethyl ester (9CI)
データベース識別子
- CAS
304665-63-2
物性
構造計算による物性
- XLogP
- 4.8
- 極性表面積
- 167 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 8
- 回転可能結合数
- 11
- 重原子数
- 34
- 形式電荷
- 0
- 複雑度
- 731
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