Chem
J-GLOBAL ID:200907041926835384
Nikkaji number:J1.035.715B
N-(β-Alanyl)-α-methyl-3-hydroxy-5-[[(S)-2-(L-γ-glutamylamino)-3-(carboxymethylamino)-3-oxopropyl]thio]-L-tyrosine
N-(β-アラニル)-α-メチル-3-ヒドロキシ-5-[[(S)-2-(L-γ-グルタミルアミノ)-3-(カルボキシメチルアミノ)-3-オキソプロピル]チオ]-L-チロシン
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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:
C23 H33 N5 O11 S
Molecular formula furigana:
C23-H33-N5-O11-S
Molecular weight:
587.600
InChI:
InChI=1S/C23H33N5O11S/c1-23(22(38)39,28-17(31)4-5-24)8-11-6-14(29)19(34)15(7-11)40-10-13(20(35)26-9-18(32)33)27-16(30)3-2-12(25)21(36)37/h6-7,12-13,29,34H,2-5,8-10,24-25H2,1H3,(H,26,35)(H,27,30)(H,28,31)(H,32,33)(H,36,37)(H,38,39)/t12-,13+,23-/m0/s1
InChI key:
FFBMTMQLBKKCEP-BTELXILVSA-N
SMILES:
C[C@@](Cc1cc(O)c(O)c(SC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c1)(NC(=O)CCN)C(=O)O
Systematic name (3):
N-(β-アラニル)-α-メチル-3-ヒドロキシ-5-[[(S)-2-(L-γ-グルタミルアミノ)-3-(カルボキシメチルアミノ)-3-オキソプロピル]チオ]-L-チロシン
(2S)-2-アミノ-4-{[(1S)-2-({5-[(2S)-2-(3-アミノプロパンアミド)-2-カルボキシ-2-メチルエチル]-2,3-ジヒドロキシフェニル}スルファニル)-1-[(カルボキシメチル)カルバモイル]エチル]カルバモイル}ブタン酸
(2S)-2-amino-4-{[(1S)-2-({5-[(2S)-2-(3-aminopropanamido)-2-carboxy-2-methylethyl]-2,3-dihydroxyphenyl}sulfanyl)-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid
Other name (1):
N-(β-Alanyl)-α-methyl-3-hydroxy-5-[[(S)-2-(L-γ-glutamylamino)-3-(carboxymethylamino)-3-oxopropyl]thio]-L-tyrosine
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