Chem
J-GLOBAL ID：200907075341773172   Nikkaji number：J1.703.921K

Cbz-L-Ile-L-Leu-[(3S)-2-Oxo-3-(2,2-difluoroethyl)-βAla-]-OH

Cbz-L-Ile-L-Leu-[(3S)-2-オキソ-3-(2,2-ジフルオロエチル)-βAla-]-OH
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： C25H35F2N3O7
Molecular formula furigana： C25-H35-F2-N3-O7
Molecular weight： 527.566
InChI： InChI=1S/C25H35F2N3O7/c1-5-15(4)20(30-25(36)37-13-16-9-7-6-8-10-16)23(33)29-18(11-14(2)3)22(32)28-17(12-19(26)27)21(31)24(34)35/h6-10,14-15,17-20H,5,11-13H2,1-4H3,(H,28,32)(H,29,33)(H,30,36)(H,34,35)/t15-,17-,18-,20-/m0/s1
InChI key： IXLOEMUNKMDCDV-CAIZAGQASA-N
SMILES： CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(=O)O
Systematic name  (3)：
  • Cbz-L-Ile-L-Leu-[(3S)-2-オキソ-3-(2,2-ジフルオロエチル)-βAla-]-OH
  • (3S)-3-[(2S)-2-[(2S,3S)-2-{[(ベンジルオキシ)カルボニル]アミノ}-3-メチルペンタンアミド]-4-メチルペンタンアミド]-5,5-ジフルオロ-2-オキソペンタン酸
  • (3S)-3-[(2S)-2-[(2S,3S)-2-{[(benzyloxy)carbonyl]amino}-3-methylpentanamido]-4-methylpentanamido]-5,5-difluoro-2-oxopentanoic acid
Other name (1)：
  • Cbz-L-Ile-L-Leu-[(3S)-2-Oxo-3-(2,2-difluoroethyl)-βAla-]-OH
Thsaurus map：
Thesaurus Map

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