Chem
J-GLOBAL ID：200907093294148190   Nikkaji number：J610.033C

L-739750

L-739750
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： C23H39N3O6S2
Molecular formula furigana： C23-H39-N3-O6-S2
Molecular weight： 517.700
InChI： InChI=1S/C23H39N3O6S2/c1-4-16(2)20(25-13-18(24)15-33)14-32-21(12-17-8-6-5-7-9-17)22(27)26-19(23(28)29)10-11-34(3,30)31/h5-9,16,18-21,25,33H,4,10-15,24H2,1-3H3,(H,26,27)(H,28,29)/t16-,18+,19-,20+,21-/m0/s1
InChI key： SIEXHGZWGJLLAC-OSTWSGHESA-N
SMILES： CC[C@H](C)[C@@H](CO[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCS(=O)(=O)C)C(=O)O)NC[C@@H](N)CS
Systematic name  (3)：
  • (S)-4-(メチルスルホニル)-2-[(S)-3-フェニル-2-[[(2S,3S)-2-[(R)-2-アミノ-3-メルカプトプロピルアミノ]-3-メチルペンチル]オキシ]プロパノイルアミノ]ブタン酸
  • (2S)-2-[(2S)-2-{[(2S,3S)-2-{[(2R)-2-アミノ-3-スルファニルプロピル]アミノ}-3-メチルペンチル]オキシ}-3-フェニルプロパンアミド]-4-メタンスルホニルブタン酸
  • (2S)-2-[(2S)-2-{[(2S,3S)-2-{[(2R)-2-amino-3-sulfanylpropyl]amino}-3-methylpentyl]oxy}-3-phenylpropanamido]-4-methanesulfonylbutanoic acid
Other name (2)：
  • L-739750
  • (S)-4-(Methylsulfonyl)-2-[(S)-3-phenyl-2-[[(2S,3S)-2-[(R)-2-amino-3-mercaptopropylamino]-3-methylpentyl]oxy]propanoylamino]butanoic acid
Thsaurus map：
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