Chem
J-GLOBAL ID：200907031608853955   Nikkaji number：J456.100G

Hapten

ハプテン
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： C26H26ClN5O3S
Molecular formula furigana： C26-H26-CL-N5-O3-S
Molecular weight： 524.039
InChI： InChI=1S/C26H26ClN5O3S/c1-13-24-30-29-14(2)32(24)26-22(18-9-10-31(12-20(18)36-26)25(35)16-5-6-16)23(28-13)17-7-3-15(11-19(17)27)4-8-21(33)34/h3,7,11,13,16H,4-6,8-10,12H2,1-2H3,(H,33,34)/t13-/m0/s1
InChI key： TZLVPZHFTNILRH-ZDUSSCGKSA-N
SMILES： C[C@@H]1N=C(c2c3CCN(Cc3sc2n2c(C)nnc12)C(=O)C1CC1)c1ccc(CCC(=O)O)cc1Cl
Systematic name  (3)：
  • 4-[[(4S)-9-シクロプロピルカルボニル-7,8,9,10-テトラヒドロ-1,4α-ジメチル-4H-ピリド[4′,3′:4,5]チエノ[3,2-f][1,2,4]トリアゾロ[4,3-a][1,4]ジアゼピン]-6-イル]-3-クロロベンゼンプロピオン酸
  • 3-{3-クロロ-4-[(7S)-14-シクロプロパンカルボニル-3,7-ジメチル-17-チア-2,4,5,8,14-ペンタアザテトラシクロ[8.7.0.02,6.011,16]ヘプタデカ-1(10),3,5,8,11(16)-ペンタエン-9-イル]フェニル}プロパン酸
  • 3-{3-chloro-4-[(7S)-14-cyclopropanecarbonyl-3,7-dimethyl-17-thia-2,4,5,8,14-pentaazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaen-9-yl]phenyl}propanoic acid
Other name (3)：
  • ハプテン
  • Hapten
  • 4-[[(4S)-9-Cyclopropylcarbonyl-7,8,9,10-tetrahydro-1,4α-dimethyl-4H-pyrido[4′,3′:4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin]-6-yl]-3-chlorobenzenepropionic acid
CAS registry number： 141783-07-5
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