Chem
J-GLOBAL ID：200907084521477996   Nikkaji number：J1.913.213G

3-(Acetylamino)-4,8,13,14,16,20-hexamethyl-7-(1-methoxyethyl)-19-methylene-22-benzyl-10-[1-[[2-(acetylamino)-3-hydroxy-4-methylpentanoyl]oxy]-2-methylpropyl]-1,5-dioxa-8,11,14,17,20-pentaazacyclodocosane-2,6,9,12,15,18,21-heptone

1-[18-ベンジル-21-アセトアミド-3-(1-メトキシエチル)-4,9,10,12,16,22-ヘキサメチル-15-メチリデン-2,5,8,11,14,17,20-ヘプタオキソ-1,19-ジオキサ-4,7,10,13,16-ペンタアザシクロドコサン-6-イル]-2-メチルプロピル 2-アセトアミド-3-ヒドロキシ-4-メチルペンタノアート
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： C46H69N7O15
Molecular formula furigana： C46-H69-N7-O15
Molecular weight： 960.092
InChI： InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)
InChI key： QVYLWCAYZGFGNF-UHFFFAOYSA-N
SMILES： COC(C)C1N(C)C(=O)C(NC(=O)C(C)N(C)C(=O)C(C)NC(=O)C(=C)N(C)C(=O)C(Cc2ccccc2)OC(=O)C(NC(=O)C)C(C)OC1=O)C(OC(=O)C(NC(=O)C)C(O)C(C)C)C(C)C
Systematic name  (3)：
  • 3-(アセチルアミノ)-4,8,13,14,16,20-ヘキサメチル-7-(1-メトキシエチル)-19-メチレン-22-ベンジル-10-[1-[[2-(アセチルアミノ)-3-ヒドロキシ-4-メチルペンタノイル]オキシ]-2-メチルプロピル]-1,5-ジオキサ-8,11,14,17,20-ペンタアザシクロドコサン-2,6,9,12,15,18,21-ヘプタオン
  • 1-[18-ベンジル-21-アセトアミド-3-(1-メトキシエチル)-4,9,10,12,16,22-ヘキサメチル-15-メチリデン-2,5,8,11,14,17,20-ヘプタオキソ-1,19-ジオキサ-4,7,10,13,16-ペンタアザシクロドコサン-6-イル]-2-メチルプロピル 2-アセトアミド-3-ヒドロキシ-4-メチルペンタノアート
  • 1-[18-benzyl-21-acetamido-3-(1-methoxyethyl)-4,9,10,12,16,22-hexamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-1,19-dioxa-4,7,10,13,16-pentaazacyclodocosan-6-yl]-2-methylpropyl 2-acetamido-3-hydroxy-4-methylpentanoate
Other name (1)：
  • 3-(Acetylamino)-4,8,13,14,16,20-hexamethyl-7-(1-methoxyethyl)-19-methylene-22-benzyl-10-[1-[[2-(acetylamino)-3-hydroxy-4-methylpentanoyl]oxy]-2-methylpropyl]-1,5-dioxa-8,11,14,17,20-pentaazacyclodocosane-2,6,9,12,15,18,21-heptone
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