Chem
J-GLOBAL ID:200907049730716361   Nikkaji number:J1.273.418B

N,N′-Heptamethylenebis(17α-hydroxyyohimban-16α-carboxamide)

N,N′-ヘプタメチレンビス(17α-ヒドロキシヨヒンバン-16α-カルボアミド)
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: C47H62N6O4
Molecular formula furigana: C47-H62-N6-O4
Molecular weight: 775.051
InChI: InChI=1S/C47H62N6O4/c54-40-16-14-28-26-52-22-18-32-30-10-4-6-12-36(30)50-44(32)38(52)24-34(28)42(40)46(56)48-20-8-2-1-3-9-21-49-47(57)43-35-25-39-45-33(31-11-5-7-13-37(31)51-45)19-23-53(39)27-29(35)15-17-41(43)55/h4-7,10-13,28-29,34-35,38-43,50-51,54-55H,1-3,8-9,14-27H2,(H,48,56)(H,49,57)/t28-,29-,34-,35-,38-,39-,40-,41-,42+,43+/m0/s1
InChI key: MCEACDKESZXNJS-PJNBFDTGSA-N
SMILES: O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)NCCCCCCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Systematic name  (3):
  • N,N′-ヘプタメチレンビス(17α-ヒドロキシヨヒンバン-16α-カルボアミド)
  • (1S,15R,18S,19R,20S)-18-ヒドロキシ-N-(7-{[(1S,15R,18S,19R,20S)-18-ヒドロキシ-3,13-ジアザペンタシクロ[11.8.0.02,10.04,9.015,20]ヘンイコサ-2(10),4,6,8-テトラエン-19-イル]ホルムアミド}ヘプチル)-3,13-ジアザペンタシクロ[11.8.0.02,10.04,9.015,20]ヘンイコサ-2(10),4,6,8-テトラエン-19-カルボキサミド
  • (1S,15R,18S,19R,20S)-18-hydroxy-N-(7-{[(1S,15R,18S,19R,20S)-18-hydroxy-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraen-19-yl]formamido}heptyl)-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8-tetraene-19-carboxamide
Other name (1):
  • N,N′-Heptamethylenebis(17α-hydroxyyohimban-16α-carboxamide)
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