Chem
J-GLOBAL ID：200907019513068908   Nikkaji number：J2.426.053D

Boc-Leu-Aib-Glu-Leu-Leu-2-(3-Pyridyl)-Ala-Aib-Leu-OEt

Boc-Leu-Aib-Glu-Leu-Leu-2-(3-ピリジル)-Ala-Aib-Leu-OEt
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： C52H87N9O13
Molecular formula furigana： C52-H87-N9-O13
Molecular weight： 1046.318
InChI： InChI=1S/C52H87N9O13/c1-18-73-44(68)38(27-32(8)9)57-46(70)51(15,16)61-47(71)52(17,33-20-19-23-53-28-33)60-43(67)36(25-30(4)5)55-41(65)35(24-29(2)3)54-40(64)34(21-22-39(62)63)56-45(69)50(13,14)59-42(66)37(26-31(6)7)58-48(72)74-49(10,11)12/h19-20,23,28-32,34-38H,18,21-22,24-27H2,1-17H3,(H,54,64)(H,55,65)(H,56,69)(H,57,70)(H,58,72)(H,59,66)(H,60,67)(H,61,71)(H,62,63)/t34-,35-,36-,37-,38-,52+/m0/s1
InChI key： RGKTWMFSPUJMOC-NWZQPVDMSA-N
SMILES： CCOC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)NC(=O)[C@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c1cccnc1
Systematic name  (3)：
  • Boc-Leu-Aib-Glu-Leu-Leu-2-(3-ピリジル)-Ala-Aib-Leu-OEt
  • (4S)-4-{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}-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-[(1-{[(2S)-1-エトキシ-4-メチル-1-オキソペンタン-2-イル]カルバモイル}-1-メチルエチル)カルバモイル]-1-(ピリジン-3-イル)エチル]カルバモイル}-3-メチルブチル]カルバモイル}-3-メチルブチル]カルバモイル}ブタン酸
  • (4S)-4-{2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanamido]-2-methylpropanamido}-4-{[(1S)-1-{[(1S)-1-{[(1R)-1-[(1-{[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]carbamoyl}-1-methylethyl)carbamoyl]-1-(pyridin-3-yl)ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid
Other name (1)：
  • Boc-Leu-Aib-Glu-Leu-Leu-2-(3-Pyridyl)-Ala-Aib-Leu-OEt
Thsaurus map：
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