Chem
J-GLOBAL ID:200907061125887880
Nikkaji number:J1.123.776B
[(2 H5 )Phe4 ]-methionine enkephalin
[(2 H5 )Phe4 ]メチオニンエンケファリン
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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:
C27 H30 [2 H]5 N5 O7 S
Molecular formula furigana:
C27-H35-N5-O7-S
Molecular weight:
578.700
InChI:
InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1/i2D,3D,4D,5D,6D
InChI key:
YFGBQHOOROIVKG-TWCNNHQWSA-N
SMILES:
c1([2H])c([2H])c([2H])c(C[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N[C@@H](CCSC)C(=O)O)c([2H])c1[2H]
Systematic name (3):
Tyr-Gly-Gly-(2,3,4,5,6-2 H5 )Phe-Met-OH
(2S)-2-[(2S)-2-(2-{2-[(2S)-2-アミノ-3-(4-ヒドロキシフェニル)プロパンアミド]アセトアミド}アセトアミド)-3-[(2,3,4,5,6-2 H5 )フェニル]プロパンアミド]-4-(メチルスルファニル)ブタン酸
(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-[(2,3,4,5,6-2 H5 )phenyl]propanamido]-4-(methylsulfanyl)butanoic acid
Other name (2):
[(2 H5 )Phe4 ]メチオニンエンケファリン
[(2 H5 )Phe4 ]-methionine enkephalin
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