Chem
J-GLOBAL ID:200907034708060927
Nikkaji number:J1.035.716K
N-[3,4-Dihydroxy-5-[[(S)-2-(L-γ-glutamylamino)-3-(carboxymethylamino)-3-oxopropyl]thio]phenethyl]-3-aminopropanamide
N-[3,4-ジヒドロキシ-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]フェネチル]-3-アミノプロパンアミド
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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:
C21 H31 N5 O9 S
Molecular formula furigana:
C21-H31-N5-O9-S
Molecular weight:
529.570
InChI:
InChI=1S/C21H31N5O9S/c22-5-3-16(28)24-6-4-11-7-14(27)19(32)15(8-11)36-10-13(20(33)25-9-18(30)31)26-17(29)2-1-12(23)21(34)35/h7-8,12-13,27,32H,1-6,9-10,22-23H2,(H,24,28)(H,25,33)(H,26,29)(H,30,31)(H,34,35)/t12-,13+/m0/s1
InChI key:
CNCWTJKOQHPBER-QWHCGFSZSA-N
SMILES:
NCCC(=O)NCCc1cc(O)c(O)c(SC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)c1
Systematic name (3):
N-[3,4-ジヒドロキシ-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]フェネチル]-3-アミノプロパンアミド
(2S)-2-アミノ-4-{[(1S)-2-({5-[2-(3-アミノプロパンアミド)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-[2-(3-aminopropanamido)ethyl]-2,3-dihydroxyphenyl}sulfanyl)-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid
Other name (1):
N-[3,4-Dihydroxy-5-[[(S)-2-(L-γ-glutamylamino)-3-(carboxymethylamino)-3-oxopropyl]thio]phenethyl]-3-aminopropanamide
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