Chem
J-GLOBAL ID：200907046648724144   Nikkaji number：J881.085K

Dolastatin 16

ドラスタチン16
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C47H70N6O10
Molecular formula furigana： C47-H70-N6-O10
Molecular weight： 879.109
InChI： InChI=1S/C47H70N6O10/c1-26(2)36-30(8)46(60)62-31(9)42(56)53-24-16-21-35(53)47(61)63-39(28(5)6)45(59)50(10)38(27(3)4)44(58)52-23-15-20-34(52)41(55)49-37(29(7)25-32-17-12-11-13-18-32)43(57)51-22-14-19-33(51)40(54)48-36/h11-13,17-18,26-31,33-39H,14-16,19-25H2,1-10H3,(H,48,54)(H,49,55)/t29?,30?,31-,33-,34-,35-,36?,37?,38+,39+/m0/s1
InChI key： JXOFEBNJOOEXJY-NLKHYCKVSA-N
SMILES： CC(C)C1NC(=O)[C@@H]2CCCN2C(=O)C(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C)C)N(C)C(=O)[C@H](OC(=O)[C@@H]2CCCN2C(=O)[C@H](C)OC(=O)C1C)C(C)C)C(C)Cc1ccccc1
Systematic name  (3)：
  • (2S,5S,8R,11R,14S,20S)-2,10,24-トリメチル-8,11,23-トリイソプロピル-17-(α-メチルフェネチル)-4,5:13,14:19,20-トリプロパノ-1,7-ジオキサ-4,10,13,16,19,22-ヘキサアザシクロペンタコサン-3,6,9,12,15,18,21,25-オクタオン
  • (6S,12R,15R,18S,24S,31S)-13,24,27-トリメチル-3-(1-フェニルプロパン-2-イル)-12,15,28-トリス(プロパン-2-イル)-16,25-ジオキサ-1,4,10,13,22,29-ヘキサアザテトラシクロ[29.3.0.06,10.018,22]テトラトリアコンタン-2,5,11,14,17,23,26,30-オクタオン
  • (6S,12R,15R,18S,24S,31S)-13,24,27-trimethyl-3-(1-phenylpropan-2-yl)-12,15,28-tris(propan-2-yl)-16,25-dioxa-1,4,10,13,22,29-hexaazatetracyclo[29.3.0.06,10.018,22]tetratriacontan-2,5,11,14,17,23,26,30-octone
Other name (3)：
  • ドラスタチン16
  • Dolastatin 16
  • (2S,5S,8R,11R,14S,20S)-2,10,24-Trimethyl-8,11,23-triisopropyl-17-(α-methylphenethyl)-4,5:13,14:19,20-tripropano-1,7-dioxa-4,10,13,16,19,22-hexaazacyclopentacosane-3,6,9,12,15,18,21,25-octone
Application (1)：
prevention of pollution
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