Chem
J-GLOBAL ID:200907027763058528   Nikkaji number:J2.315.659H

(4R,5S)-5β-[[(4R,5S)-5β-[[(4R,5S)-5β-[[(4R,5S)-5β-(tert-Butoxycarbonylamino)-3β,6β-methanocyclohexene-4β-yl]carbonylamino]-3β,6β-methanocyclohexene-4β-yl]carbonylamino]-3β,6β-methanocyclohexene-4β-yl]carbonylamino]-3β,6β-methanocyclohexene-4β-carboxylic acid methyl ester

(4R,5S)-5β-[[(4R,5S)-5β-[[(4R,5S)-5β-[[(4R,5S)-5β-(tert-ブトキシカルボニルアミノ)-3β,6β-メタノシクロヘキセン-4β-イル]カルボニルアミノ]-3β,6β-メタノシクロヘキセン-4β-イル]カルボニルアミノ]-3β,6β-メタノシクロヘキセン-4β-イル]カルボニルアミノ]-3β,6β-メタノシクロヘキセン-4β-カルボン酸メチル
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: C38H48N4O7
Molecular formula furigana: C38-H48-N4-O7
Molecular weight: 672.823
InChI: InChI=1S/C38H48N4O7/c1-38(2,3)49-37(47)42-31-23-11-7-19(15-23)27(31)35(45)40-29-21-9-5-17(13-21)25(29)33(43)39-30-22-10-6-18(14-22)26(30)34(44)41-32-24-12-8-20(16-24)28(32)36(46)48-4/h5-12,17-32H,13-16H2,1-4H3,(H,39,43)(H,40,45)(H,41,44)(H,42,47)/t17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27+,28+,29-,30-,31-,32-/m0/s1
InChI key: WUQXLYQSFZSSJY-JRWBGNMKSA-N
SMILES: COC(=O)[C@@H]1[C@@H]2C[C@@H](C=C2)[C@@H]1NC(=O)[C@@H]1[C@@H]2C[C@@H](C=C2)[C@@H]1NC(=O)[C@@H]1[C@@H]2C[C@@H](C=C2)[C@@H]1NC(=O)[C@@H]1[C@@H]2C[C@@H](C=C2)[C@@H]1NC(=O)OC(C)(C)C
Systematic name  (3):
  • (4R,5S)-5β-[[(4R,5S)-5β-[[(4R,5S)-5β-[[(4R,5S)-5β-(tert-ブトキシカルボニルアミノ)-3β,6β-メタノシクロヘキセン-4β-イル]カルボニルアミノ]-3β,6β-メタノシクロヘキセン-4β-イル]カルボニルアミノ]-3β,6β-メタノシクロヘキセン-4β-イル]カルボニルアミノ]-3β,6β-メタノシクロヘキセン-4β-カルボン酸メチル
  • メチル (1R,2R,3S,4S)-3-[(1R,2R,3S,4S)-3-[(1R,2R,3S,4S)-3-[(1R,2R,3S,4S)-3-{[(tert-ブトキシ)カルボニル]アミノ}ビシクロ[2.2.1]ヘプタ-5-エン-2-アミド]ビシクロ[2.2.1]ヘプタ-5-エン-2-アミド]ビシクロ[2.2.1]ヘプタ-5-エン-2-アミド]ビシクロ[2.2.1]ヘプタ-5-エン-2-カルボキシラート
  • methyl (1R,2R,3S,4S)-3-[(1R,2R,3S,4S)-3-[(1R,2R,3S,4S)-3-[(1R,2R,3S,4S)-3-{[(tert-butoxy)carbonyl]amino}bicyclo[2.2.1]hept-5-ene-2-amido]bicyclo[2.2.1]hept-5-ene-2-amido]bicyclo[2.2.1]hept-5-ene-2-amido]bicyclo[2.2.1]hept-5-ene-2-carboxylate
Other name (1):
  • (4R,5S)-5β-[[(4R,5S)-5β-[[(4R,5S)-5β-[[(4R,5S)-5β-(tert-Butoxycarbonylamino)-3β,6β-methanocyclohexene-4β-yl]carbonylamino]-3β,6β-methanocyclohexene-4β-yl]carbonylamino]-3β,6β-methanocyclohexene-4β-yl]carbonylamino]-3β,6β-methanocyclohexene-4β-carboxylic acid methyl ester
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