Chem
J-GLOBAL ID：200907013870772399   Nikkaji number：J515.483I

N-[(2R)-2-[[(3aβ,6aβ)-1-[N-(5-Aminopentanoyl)-L-Phe-L-Phe-]-6-oxooctahydropyrrolo[3,4-b]pyrrol]-5-yl]-4-methylpentanoyl]-L-Met-NH2

N-[(2R)-2-[[(3aβ,6aβ)-1-[N-(5-アミノペンタノイル)-L-Phe-L-Phe-]-6-オキソオクタヒドロピロロ[3,4-b]ピロール]-5-イル]-4-メチルペンタノイル]-L-Met-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： C40H57N7O6S
Molecular formula furigana： C40-H57-N7-O6-S
Molecular weight： 764.000
InChI： InChI=1S/C40H57N7O6S/c1-26(2)22-33(38(51)44-30(36(42)49)18-21-54-3)47-25-29-17-20-46(35(29)40(47)53)39(52)32(24-28-14-8-5-9-15-28)45-37(50)31(23-27-12-6-4-7-13-27)43-34(48)16-10-11-19-41/h4-9,12-15,26,29-33,35H,10-11,16-25,41H2,1-3H3,(H2,42,49)(H,43,48)(H,44,51)(H,45,50)/t29-,30+,31+,32+,33-,35-/m1/s1
InChI key： URIRKOHAMZPMCD-VYFUELDASA-N
SMILES： CSCC[C@H](NC(=O)[C@@H](CC(C)C)N1C[C@H]2CCN([C@H]2C1=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCN)C(=O)N
Systematic name  (3)：
  • N-[(2R)-2-[[(3aβ,6aβ)-1-[N-(5-アミノペンタノイル)-L-Phe-L-Phe-]-6-オキソオクタヒドロピロロ[3,4-b]ピロール]-5-イル]-4-メチルペンタノイル]-L-Met-NH2
  • (2R)-2-[(3aR,6aR)-1-[(2S)-2-[(2S)-2-(5-アミノペンタンアミド)-3-フェニルプロパンアミド]-3-フェニルプロパノイル]-6-オキソ-オクタヒドロピロロ[3,4-b]ピロール-5-イル]-N-[(1S)-1-カルバモイル-3-(メチルスルファニル)プロピル]-4-メチルペンタンアミド
  • (2R)-2-[(3aR,6aR)-1-[(2S)-2-[(2S)-2-(5-aminopentanamido)-3-phenylpropanamido]-3-phenylpropanoyl]-6-oxo-octahydropyrrolo[3,4-b]pyrrol-5-yl]-N-[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]-4-methylpentanamide
Other name (1)：
  • N-[(2R)-2-[[(3aβ,6aβ)-1-[N-(5-Aminopentanoyl)-L-Phe-L-Phe-]-6-oxooctahydropyrrolo[3,4-b]pyrrol]-5-yl]-4-methylpentanoyl]-L-Met-NH2
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