Chem
J-GLOBAL ID:200907018496816834   Nikkaji number:J1.080.840E

Boc-L-Leu-Aib-3-Phenyl-Dha-Aib-3-phenyl-Dha-Aib-3-phenyl-Dha-Aib-3-phenyl-Dha-Aib-OMe

Boc-L-Leu-Aib-3-フェニル-Dha-Aib-3-フェニル-Dha-Aib-3-フェニル-Dha-Aib-3-フェニル-Dha-Aib-OMe
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: C68H86N10O13
Molecular formula furigana: C68-H86-N10-O13
Molecular weight: 1251.493
InChI: InChI=1S/C68H86N10O13/c1-42(2)37-47(73-62(89)91-63(3,4)5)52(79)74-64(6,7)57(84)69-48(38-43-29-21-17-22-30-43)53(80)75-65(8,9)58(85)70-49(39-44-31-23-18-24-32-44)54(81)76-66(10,11)59(86)71-50(40-45-33-25-19-26-34-45)55(82)77-67(12,13)60(87)72-51(41-46-35-27-20-28-36-46)56(83)78-68(14,15)61(88)90-16/h17-36,38-42,47H,37H2,1-16H3,(H,69,84)(H,70,85)(H,71,86)(H,72,87)(H,73,89)(H,74,79)(H,75,80)(H,76,81)(H,77,82)(H,78,83)/t47-/m0/s1
InChI key: GLAVELVWIOWINN-MFERNQICSA-N
SMILES: COC(=O)C(C)(C)NC(=O)C(=Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(=Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(=Cc1ccccc1)NC(=O)C(C)(C)NC(=O)C(=Cc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C
Systematic name  (3):
  • Boc-L-Leu-Aib-3-フェニル-Dha-Aib-3-フェニル-Dha-Aib-3-フェニル-Dha-Aib-3-フェニル-Dha-Aib-OMe
  • メチル 2-(2-{2-[2-(2-{2-[2-(2-{2-[(2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-4-メチルペンタンアミド]-2-メチルプロパンアミド}-3-フェニルプロパ-2-エンアミド)-2-メチルプロパンアミド]-3-フェニルプロパ-2-エンアミド}-2-メチルプロパンアミド)-3-フェニルプロパ-2-エンアミド]-2-メチルプロパンアミド}-3-フェニルプロパ-2-エンアミド)-2-メチルプロパノアート
  • methyl 2-(2-{2-[2-(2-{2-[2-(2-{2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido]-2-methylpropanamido}-3-phenylprop-2-enamido)-2-methylpropanamido]-3-phenylprop-2-enamido}-2-methylpropanamido)-3-phenylprop-2-enamido]-2-methylpropanamido}-3-phenylprop-2-enamido)-2-methylpropanoate
Other name (1):
  • Boc-L-Leu-Aib-3-Phenyl-Dha-Aib-3-phenyl-Dha-Aib-3-phenyl-Dha-Aib-3-phenyl-Dha-Aib-OMe
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