Chem
J-GLOBAL ID:200907018581984231   Nikkaji number:J1.401.153F

N-[1-[[Ac-Phe-Met-Aib-Tyr-Trp-Glu-]Amino]cyclopropylcarbonyl]-Leu-NH2

N-[1-[[Ac-Phe-Met-Aib-Tyr-Trp-Glu-]アミノ]シクロプロピルカルボニル]-Leu-NH2
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: C55H72N10O12S
Molecular formula furigana: C55-H72-N10-O12-S
Molecular weight: 1097.300
InChI: InChI=1S/C55H72N10O12S/c1-31(2)26-41(46(56)70)62-53(77)55(23-24-55)65-51(75)39(20-21-45(68)69)59-49(73)44(29-35-30-57-38-15-11-10-14-37(35)38)61-48(72)43(28-34-16-18-36(67)19-17-34)63-52(76)54(4,5)64-50(74)40(22-25-78-6)60-47(71)42(58-32(3)66)27-33-12-8-7-9-13-33/h7-19,30-31,39-44,57,67H,20-29H2,1-6H3,(H2,56,70)(H,58,66)(H,59,73)(H,60,71)(H,61,72)(H,62,77)(H,63,76)(H,64,74)(H,65,75)(H,68,69)/t39-,40-,41-,42-,43-,44-/m0/s1
InChI key: IWAXRAXJKRRCJE-WGXSSYHUSA-N
SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)NC1(CC1)C(=O)N[C@@H](CC(C)C)C(=O)N
Systematic name  (3):
  • N-[1-[[Ac-Phe-Met-Aib-Tyr-Trp-Glu-]アミノ]シクロプロピルカルボニル]-Leu-NH2
  • (4S)-4-[(1-{[(1S)-1-カルバモイル-3-メチルブチル]カルバモイル}シクロプロピル)カルバモイル]-4-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-アセトアミド-3-フェニルプロパンアミド]-4-(メチルスルファニル)ブタンアミド]-2-メチルプロパンアミド}-3-(4-ヒドロキシフェニル)プロパンアミド]-3-(1H-インドール-3-イル)プロパンアミド]ブタン酸
  • (4S)-4-[(1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}cyclopropyl)carbamoyl]-4-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-acetamido-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-2-methylpropanamido}-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]butanoic acid
Other name (1):
  • N-[1-[[Ac-Phe-Met-Aib-Tyr-Trp-Glu-]Amino]cyclopropylcarbonyl]-Leu-NH2
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