Chem
J-GLOBAL ID:200907007821731083   Nikkaji number:J2.006.129D

N-[(6R)-4-O,5-O-Isopropylidene-6-[[N-(tert-butyloxycarbonyl)-O-(2-bromobenzyloxycarbonyl)-L-tyrosyl]amino]-3,6-anhydro-2-deoxy-D-ribo-hexose-1-yl]-L-Phe-L-Leu-OMe ester

N-[(6R)-4-O,5-O-イソプロピリデン-6-[[N-(tert-ブチルオキシカルボニル)-O-(2-ブロモベンジルオキシカルボニル)-L-チロシル]アミノ]-3,6-アンヒドロ-2-デオキシ-D-ribo-ヘキソース-1-イル]-L-Phe-L-Leu-OMe
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: C47H59BrN4O13
Molecular formula furigana: C47-H59-BR-N4-O13
Molecular weight: 967.908
InChI: InChI=1S/C47H59BrN4O13/c1-27(2)22-35(43(56)59-8)50-40(54)33(23-28-14-10-9-11-15-28)49-37(53)25-36-38-39(64-47(6,7)63-38)42(62-36)52-41(55)34(51-44(57)65-46(3,4)5)24-29-18-20-31(21-19-29)61-45(58)60-26-30-16-12-13-17-32(30)48/h9-21,27,33-36,38-39,42H,22-26H2,1-8H3,(H,49,53)(H,50,54)(H,51,57)(H,52,55)/t33-,34-,35-,36-,38-,39-,42+/m0/s1
InChI key: JZWCBKWJALGSEU-BHKZOUAVSA-N
SMILES: COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1O[C@@H](NC(=O)[C@H](Cc2ccc(OC(=O)OCc3ccccc3Br)cc2)NC(=O)OC(C)(C)C)[C@H]2OC(C)(C)O[C@@H]12
Systematic name  (3):
  • N-[(6R)-4-O,5-O-イソプロピリデン-6-[[N-(tert-ブチルオキシカルボニル)-O-(2-ブロモベンジルオキシカルボニル)-L-チロシル]アミノ]-3,6-アンヒドロ-2-デオキシ-D-ribo-ヘキソース-1-イル]-L-Phe-L-Leu-OMe
  • メチル (2S)-2-[(2S)-2-{2-[(3aS,4S,6R,6aS)-6-[(2S)-3-[4-({[(2-ブロモフェニル)メトキシ]カルボニル}オキシ)フェニル]-2-{[(tert-ブトキシ)カルボニル]アミノ}プロパンアミド]-2,2-ジメチル-テトラヒドロ-2H-フロ[3,4-d][1,3]ジオキソール-4-イル]アセトアミド}-3-フェニルプロパンアミド]-4-メチルペンタノアート
  • methyl (2S)-2-[(2S)-2-{2-[(3aS,4S,6R,6aS)-6-[(2S)-3-[4-({[(2-bromophenyl)methoxy]carbonyl}oxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}propanamido]-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl]acetamido}-3-phenylpropanamido]-4-methylpentanoate
Other name (1):
  • N-[(6R)-4-O,5-O-Isopropylidene-6-[[N-(tert-butyloxycarbonyl)-O-(2-bromobenzyloxycarbonyl)-L-tyrosyl]amino]-3,6-anhydro-2-deoxy-D-ribo-hexose-1-yl]-L-Phe-L-Leu-OMe ester
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