基本情報
- CAS
81098-23-9- 標準SMILES
CCC(C)C1NC(=O)c2csc(n2)C(C)NC(=O)C2N=C(OC2C)C(CC(C)C)NC(=O)c2csc(n2)C(Cc2ccccc2)NC(=O)C2N=C1OC2C- InChIKey
FDAPKNJHIHKHDM-UHFFFAOYSA-N- 分子式
- C38H48N8O6S2
- 平均分子量
- 777 g/mol
- 単同位体質量
- 776.31382363
名称と識別子
- 優先名称
- 11-Benzyl-4-(butan-2-yl)-7,21,25-trimethyl-18-(2-methylpropyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone
- IUPAC
- 11-benzyl-4-butan-2-yl-7,21,25-trimethyl-18-(2-methylpropyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone
名称と別名
11-benzyl-4-(butan-2-yl)-7,21,25-trimethyl-18-(2-methylpropyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone81098-23-9DTXSID9010017696,20-Dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo(24.2.1.15,8.112,15.119,22)dotriaconta-5(32),12(31),14,19(30),26(29),28-hexaene-2,9,16,23-tetrone,7,11,21-trimethyl-18-((1S)-1-methylpropyl)-4-(2-methylpropyl)-25-(phenylmethyl)-, (4S,7R,8S,11R,18S,21R,22S,25R)-Ulithiacyclamide, 1,15-de(dithiobis(methylene))-8,22-dide(2-methylpropyl)-8-methyl-15-(1-methylpropyl)-1-(2-methylpropyl)-22-(phenylmethyl)-, (1S,8R,15S(S),22R)-11-Benzyl-4-(butan-2-yl)-7,21,25-trimethyl-18-(2-methylpropyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octaazapentacyclo[24.2.1.1~5,8~.1~12,15~.1~19,22~]dotriaconta-1(28),2,5(32),9,12(31),14,16,19(30),23,26(29)-decaene-2,9,16,23-tetrol11-benzyl-4-butan-2-yl-7,21,25-trimethyl-18-(2-methylpropyl)-6,20-dioxa-13,27-dithia-3,10,17,24,29,30,31,32-octazapentacyclo[24.2.1.15,8.112,15.119,22]dotriaconta-1(28),5(32),12(31),14,19(30),26(29)-hexaene-2,9,16,23-tetrone
物性
構造計算による物性
- XLogP
- 5.3
- 極性表面積
- 242 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 12
- 回転可能結合数
- 6
- 重原子数
- 54
- 形式電荷
- 0
- 複雑度
- 1,440
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