Chem
J-GLOBAL ID:200907032671287796   Nikkaji number:J466.549J

Vintriptol-acid

ビントリプトール酸
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: C54H64N6O9
Molecular formula furigana: C54-H64-N6-O9
Molecular weight: 941.139
InChI: InChI=1S/C54H64N6O9/c1-6-50(66)26-31-27-53(49(65)69-5,43-35(17-21-59(29-31)30-50)34-14-9-11-16-39(34)56-43)37-24-36-41(25-42(37)68-4)58(3)46-52(36)19-22-60-20-12-18-51(7-2,45(52)60)47(63)54(46,67)48(64)57-40(44(61)62)23-32-28-55-38-15-10-8-13-33(32)38/h8-16,18,24-25,28,31,40,45-47,55-56,63,66-67H,6-7,17,19-23,26-27,29-30H2,1-5H3,(H,57,64)(H,61,62)/t31-,40+,45+,46-,47-,50+,51-,52-,53+,54+/m1/s1
InChI key: YABQZSJIGYTYGC-HLRIGTEJSA-N
SMILES: CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@@]32CCN2CC=C[C@](CC)([C@@H]32)[C@@H](O)[C@]1(O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Systematic name  (3):
  • 4-O-デアセチル-3-デ(メトキシカルボニル)-3-[[[(S)-1-カルボキシ-2-(1H-インドール-3-イル)エチル]アミノ]カルボニル]ビンカロイコブラスチン
  • (2S)-2-{[(1R,9R,10S,11R,12R,19R)-12-エチル-4-[(13S,15S,17S)-17-エチル-17-ヒドロキシ-13-(メトキシカルボニル)-1,11-ジアザテトラシクロ[13.3.1.04,12.05,10]ノナデカ-4(12),5,7,9-テトラエン-13-イル]-10,11-ジヒドロキシ-5-メトキシ-8-メチル-8,16-ジアザペンタシクロ[10.6.1.01,9.02,7.016,19]ノナデカ-2(7),3,5,13-テトラエン-10-イル]ホルムアミド}-3-(1H-インドール-3-イル)プロパン酸
  • (2S)-2-{[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-(methoxycarbonyl)-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraen-10-yl]formamido}-3-(1H-indol-3-yl)propanoic acid
Other name (3):
  • ビントリプトール酸
  • Vintriptol-acid
  • 4-O-Deacetyl-3-de(methoxycarbonyl)-3-[[[(S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]carbonyl]vincaleukoblastine
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