Chem
J-GLOBAL ID:201207030579522439   Nikkaji number:J3.047.066D

(S)-2-[[α-[[(2S)-2-[(9H-Fluorene-9-yl)methoxycarbonyl]-3-methylpentyl]carbamoyl]-3-methylbutyl](trifluoroacetyl)amino]propionic acid tert-butyl ester

(S)-2-[[α-[[(2S)-2-[(9H-フルオレン-9-イル)メトキシカルボニル]-3-メチルペンチル]カルバモイル]-3-メチルブチル](トリフルオロアセチル)アミノ]プロピオン酸tert-ブチル
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: C36H47F3N2O6
Molecular formula furigana: C36-H47-F3-N2-O6
Molecular weight: 660.775
InChI: InChI=1S/C36H47F3N2O6/c1-9-22(4)28(33(44)46-20-29-26-16-12-10-14-24(26)25-15-11-13-17-27(25)29)19-40-31(42)30(18-21(2)3)41(34(45)36(37,38)39)23(5)32(43)47-35(6,7)8/h10-17,21-23,28-30H,9,18-20H2,1-8H3,(H,40,42)/t22?,23-,28+,30?/m0/s1
InChI key: SASDNHTVQUPHJR-QCDSORRZSA-N
SMILES: CCC(C)[C@@H](CNC(=O)C(CC(C)C)N([C@@H](C)C(=O)OC(C)(C)C)C(=O)C(F)(F)F)C(=O)OCC1c2ccccc2c2ccccc12
Systematic name  (3):
  • (S)-2-[[α-[[(2S)-2-[(9H-フルオレン-9-イル)メトキシカルボニル]-3-メチルペンチル]カルバモイル]-3-メチルブチル](トリフルオロアセチル)アミノ]プロピオン酸tert-ブチル
  • (9H-フルオレン-9-イル)メチル (2S)-2-[(2-{N-[(2S)-1-(tert-ブトキシ)-1-オキソプロパン-2-イル]-2,2,2-トリフルオロアセトアミド}-4-メチルペンタンアミド)メチル]-3-メチルペンタノアート
  • (9H-fluoren-9-yl)methyl (2S)-2-[(2-{N-[(2S)-1-(tert-butoxy)-1-oxopropan-2-yl]-2,2,2-trifluoroacetamido}-4-methylpentanamido)methyl]-3-methylpentanoate
Other name (1):
  • (S)-2-[[α-[[(2S)-2-[(9H-Fluorene-9-yl)methoxycarbonyl]-3-methylpentyl]carbamoyl]-3-methylbutyl](trifluoroacetyl)amino]propionic acid tert-butyl ester
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