Chem
J-GLOBAL ID：200907095090972724   Nikkaji number：J2.217.009K

(2R,3R)-N-[(1R,2S)-1-Methyl-2-hydroxy-2-phenylethyl]-2-methyl-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-4-[(N-[4-(acetylamino)benzyloxycarbonyl]-N-methyl-L-Val-L-Val-)(methyl)amino]-5-methylheptanoyl]-2-pyrrolidinyl]-3-methoxypropanamide

(2R,3R)-N-[(1R,2S)-1-メチル-2-ヒドロキシ-2-フェニルエチル]-2-メチル-3-[(2S)-1-[(3R,4S,5S)-3-メトキシ-4-[(N-[4-(アセチルアミノ)ベンジルオキシカルボニル]-N-メチル-L-Val-L-Val-)(メチル)アミノ]-5-メチルヘプタノイル]-2-ピロリジニル]-3-メトキシプロパンアミド
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： C49H76N6O10
Molecular formula furigana： C49-H76-N6-O10
Molecular weight： 909.179
InChI： InChI=1S/C49H76N6O10/c1-14-31(6)43(39(63-12)27-40(57)55-26-18-21-38(55)45(64-13)32(7)46(59)50-33(8)44(58)36-19-16-15-17-20-36)53(10)48(61)41(29(2)3)52-47(60)42(30(4)5)54(11)49(62)65-28-35-22-24-37(25-23-35)51-34(9)56/h15-17,19-20,22-25,29-33,38-39,41-45,58H,14,18,21,26-28H2,1-13H3,(H,50,59)(H,51,56)(H,52,60)/t31-,32+,33+,38-,39+,41-,42-,43-,44+,45+/m0/s1
InChI key： RSNMSDJDOHUDKF-CNGYZHTNSA-N
SMILES： CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)C)cc1)C(C)C
Systematic name  (3)：
  • (2R,3R)-N-[(1R,2S)-1-メチル-2-ヒドロキシ-2-フェニルエチル]-2-メチル-3-[(2S)-1-[(3R,4S,5S)-3-メトキシ-4-[(N-[4-(アセチルアミノ)ベンジルオキシカルボニル]-N-メチル-L-Val-L-Val-)(メチル)アミノ]-5-メチルヘプタノイル]-2-ピロリジニル]-3-メトキシプロパンアミド
  • (4-アセトアミドフェニル)メチル N-[(1S)-1-{[(1S)-1-{[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-2-{[(1S,2R)-1-ヒドロキシ-1-フェニルプロパン-2-イル]カルバモイル}-1-メトキシ-2-メチルエチル]ピロリジン-1-イル]-3-メトキシ-5-メチル-1-オキソヘプタン-4-イル](メチル)カルバモイル}-2-メチルプロピル]カルバモイル}-2-メチルプロピル]-N-メチルカルバマート
  • (4-acetamidophenyl)methyl N-[(1S)-1-{[(1S)-1-{[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-2-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]carbamoyl}-1-methoxy-2-methylethyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl](methyl)carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl]-N-methylcarbamate
Other name (1)：
  • (2R,3R)-N-[(1R,2S)-1-Methyl-2-hydroxy-2-phenylethyl]-2-methyl-3-[(2S)-1-[(3R,4S,5S)-3-methoxy-4-[(N-[4-(acetylamino)benzyloxycarbonyl]-N-methyl-L-Val-L-Val-)(methyl)amino]-5-methylheptanoyl]-2-pyrrolidinyl]-3-methoxypropanamide
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