Chem
J-GLOBAL ID：200907035070741782   Nikkaji number：J2.245.650D

Ac-L-Phe-4-[(3-Oxoisothiazolidine 1,1-dioxide)-5β-yl]-L-Phe-NH2 ester

Ac-L-Phe-4-[(3-オキソイソチアゾリジン1,1-ジオキシド)-5β-イル]-L-Phe-NH2
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： C23H26N4O4[O-]2[S+2]
Molecular formula furigana： C23-H26-N4-O6-S
Molecular weight： 486.540
InChI： InChI=1S/C23H26N4O6S/c1-14(28)25-19(12-15-5-3-2-4-6-15)23(31)26-18(22(24)30)11-16-7-9-17(10-8-16)20-13-21(29)27-34(20,32)33/h2-10,18-20H,11-13H2,1H3,(H2,24,30)(H,25,28)(H,26,31)(H,27,29)/t18-,19-,20-/m0/s1
InChI key： UILYPHAKDBTKQV-UFYCRDLUSA-N
SMILES： CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[C@@H]1CC(=O)N[S+2]1([O-])[O-])C(=O)N
Systematic name  (5)：
  • Ac-L-Phe-4-[(5S)-(3-オキソイソチアゾリジン1,1-ジオキシド)-5β-イル]-L-Phe-NH2
  • Ac-L-Phe-4-[(3-オキソイソチアゾリジン1,1-ジオキシド)-5β-イル]-L-Phe-NH2
  • Ac-L-Phe-4-[[(5S)-3-オキソイソチアゾリジン1,1-ジオキシド]-5β-イル]-L-Phe-NH2
  • (5S)-5-{4-[(2S)-2-カルバモイル-2-[(2S)-2-アセトアミド-3-フェニルプロパンアミド]エチル]フェニル}-3-オキソ-1,2-チアゾリジン-1,1-ジイウム-1,1-ビス(オラート)
  • (5S)-5-{4-[(2S)-2-carbamoyl-2-[(2S)-2-acetamido-3-phenylpropanamido]ethyl]phenyl}-3-oxo-1,2-thiazolidine-1,1-diium-1,1-bis(olate)
Other name (3)：
  • Ac-L-Phe-4-[(5S)-(3-Oxoisothiazolidine 1,1-dioxide)-5β-yl]-L-Phe-NH2 ester
  • Ac-L-Phe-4-[(3-Oxoisothiazolidine 1,1-dioxide)-5β-yl]-L-Phe-NH2 ester
  • Ac-L-Phe-4-[[(5S)-3-Oxoisothiazolidine 1,1-dioxide]-5β-yl]-L-Phe-NH2 ester
Thsaurus map：
Thesaurus Map

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