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Chem
J-GLOBAL ID：200907003260499989
Nikkaji number：J1.915.596J (1R)-1,2-[[(4β)-3β-(Phenylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-5-ene-1α,2β-diyl]carbonyl]-7-bromo-1,2,3,4-tetrahydro-β-carboline-1β-carboxylic acid methyl ester
(1R)-1,2-[[(4β)-3β-(フェニルカルバモイル)-7-オキサビシクロ[2.2.1]ヘプタン-5-エン-1α,2β-ジイル]カルボニル]-7-ブロモ-1,2,3,4-テトラヒドロ-β-カルボリン-1β-カルボン酸メチル
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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： C27H22BrN3O5
Molecular formula furigana： C27-H22-BR-N3-O5
Molecular weight： 548.393
InChI：
InChI=1S/C27H22BrN3O5/c1-35-25(34)27-22-17(16-8-7-14(28)13-18(16)30-22)10-12-31(27)24(33)21-20(19-9-11-26(21,27)36-19)23(32)29-15-5-3-2-4-6-15/h2-9,11,13,19-21,30H,10,12H2,1H3,(H,29,32)/t19-,20-,21+,26+,27-/m0/s1
InChI key：
AEADHVZNRVOPOV-SPURFDBYSA-N
SMILES：
COC(=O)[C@@]12N(CCc3c1[nH]c1cc(Br)ccc31)C(=O)[C@H]1[C@H]([C@H]3O[C@@]21C=C3)C(=O)Nc1ccccc1
Systematic name (3)： - (1R)-1,2-[[(4β)-3β-(フェニルカルバモイル)-7-オキサビシクロ[2.2.1]ヘプタン-5-エン-1α,2β-ジイル]カルボニル]-7-ブロモ-1,2,3,4-テトラヒドロ-β-カルボリン-1β-カルボン酸メチル
- メチル (1R,2R,16S,17R,18S)-7-ブロモ-15-オキソ-17-(フェニルカルバモイル)-21-オキサ-4,14-ジアザヘキサシクロ[16.2.1.01,16.02,14.03,11.05,10]ヘンイコサ-3(11),5,7,9,19-ペンタエン-2-カルボキシラート
- methyl (1R,2R,16S,17R,18S)-7-bromo-15-oxo-17-(phenylcarbamoyl)-21-oxa-4,14-diazahexacyclo[16.2.1.01,16.02,14.03,11.05,10]henicosa-3(11),5,7,9,19-pentaene-2-carboxylate
- (1R)-1,2-[[(4β)-3β-(Phenylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-5-ene-1α,2β-diyl]carbonyl]-7-bromo-1,2,3,4-tetrahydro-β-carboline-1β-carboxylic acid methyl ester
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