Chem
J-GLOBAL ID:200907025246050115   Nikkaji number:J780.977H

2-[[(S)-2-Amino-3-hydroxy-3-oxopropyl]thio]-4-oxo-4-[[(S)-1,5-dioxo-1,5-bis(tetradecyloxy)pentan]-2-ylamino]butyric acid

2-{[(2S)-2-アミノ-2-カルボキシエチル]スルファニル}-3-{[(2S)-1,5-ジオキソ-1,5-ビス(テトラデシルオキシ)ペンタン-2-イル]カルバモイル}プロパン酸
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: C40H74N2O9S
Molecular formula furigana: C40-H74-N2-O9-S
Molecular weight: 759.100
InChI: InChI=1S/C40H74N2O9S/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-50-37(44)28-27-34(42-36(43)31-35(39(47)48)52-32-33(41)38(45)46)40(49)51-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-35H,3-32,41H2,1-2H3,(H,42,43)(H,45,46)(H,47,48)/t33-,34+,35?/m1/s1
InChI key: RZLWHWXHZOZCAY-JJDUNXAMSA-N
SMILES: CCCCCCCCCCCCCCOC(=O)CC[C@H](NC(=O)CC(SC[C@@H](N)C(=O)O)C(=O)O)C(=O)OCCCCCCCCCCCCCC
Systematic name  (3):
  • 2-[[(S)-2-アミノ-3-ヒドロキシ-3-オキソプロピル]チオ]-4-オキソ-4-[[(S)-1,5-ジオキソ-1,5-ビス(テトラデシルオキシ)ペンタン]-2-イルアミノ]酪酸
  • 2-{[(2S)-2-アミノ-2-カルボキシエチル]スルファニル}-3-{[(2S)-1,5-ジオキソ-1,5-ビス(テトラデシルオキシ)ペンタン-2-イル]カルバモイル}プロパン酸
  • 2-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-3-{[(2S)-1,5-dioxo-1,5-bis(tetradecyloxy)pentan-2-yl]carbamoyl}propanoic acid
Other name (1):
  • 2-[[(S)-2-Amino-3-hydroxy-3-oxopropyl]thio]-4-oxo-4-[[(S)-1,5-dioxo-1,5-bis(tetradecyloxy)pentan]-2-ylamino]butyric acid
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