Chem
J-GLOBAL ID：200907006128091503
Nikkaji number：J2.134.161D
Nα-[N-(tert-Butyloxycarbonyl)-L-valyl]-1-(tert-butyloxycarbonyl)-6-bromo-L-tryptophan methyl ester
Nα-[N-(tert-ブチルオキシカルボニル)-L-バリル]-1-(tert-ブチルオキシカルボニル)-6-ブロモ-L-トリプトファンメチル
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
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
Molecular formula： C27H38BrN3O7
Molecular formula furigana： C27-H38-BR-N3-O7
Molecular weight： 596.519
InChI：
InChI=1S/C27H38BrN3O7/c1-15(2)21(30-24(34)37-26(3,4)5)22(32)29-19(23(33)36-9)12-16-14-31(25(35)38-27(6,7)8)20-13-17(28)10-11-18(16)20/h10-11,13-15,19,21H,12H2,1-9H3,(H,29,32)(H,30,34)/t19-,21-/m0/s1
InChI key：
LDQUKUATQMZXLE-FPOVZHCZSA-N
SMILES：
COC(=O)[C@H](Cc1cn(C(=O)OC(C)(C)C)c2cc(Br)ccc12)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C
Systematic name (3)：
- Nα-[N-(tert-ブチルオキシカルボニル)-L-バリル]-1-(tert-ブチルオキシカルボニル)-6-ブロモ-L-トリプトファンメチル
- tert-ブチル 6-ブロモ-3-[(2S)-2-[(2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-メチルブタンアミド]-3-メトキシ-3-オキソプロピル]-1H-インドール-1-カルボキシラート
- tert-butyl 6-bromo-3-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanamido]-3-methoxy-3-oxopropyl]-1H-indole-1-carboxylate
- Nα-[N-(tert-Butyloxycarbonyl)-L-valyl]-1-(tert-butyloxycarbonyl)-6-bromo-L-tryptophan methyl ester
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