Chem
J-GLOBAL ID:200907060073646629   Nikkaji number:J1.862.707H

(4R)-1-Benzyl-3-(3-amino-1H-indazole-5-ylmethyl)-4α,7β-bis(4-methylbenzyl)-5α,6β-dihydroxyhexahydro-1H-1,3-diazepine-2-one

(4R)-1-ベンジル-3-(3-アミノ-1H-インダゾール-5-イルメチル)-4α,7β-ビス(4-メチルベンジル)-5α,6β-ジヒドロキシヘキサヒドロ-1H-1,3-ジアゼピン-2-オン
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: C36H39N5O3
Molecular formula furigana: C36-H39-N5-O3
Molecular weight: 589.740
InChI: InChI=1S/C36H39N5O3/c1-23-8-12-25(13-9-23)19-31-33(42)34(43)32(20-26-14-10-24(2)11-15-26)41(36(44)40(31)21-27-6-4-3-5-7-27)22-28-16-17-30-29(18-28)35(37)39-38-30/h3-18,31-34,42-43H,19-22H2,1-2H3,(H3,37,38,39)/t31-,32-,33+,34+/m1/s1
InChI key: TYXASLSBMBZTJR-WZJLIZBTSA-N
SMILES: Cc1ccc(C[C@@H]2[C@H](O)[C@@H](O)[C@@H](Cc3ccc(C)cc3)N(Cc3ccc4[nH]nc(N)c4c3)C(=O)N2Cc2ccccc2)cc1
Systematic name  (3):
  • (4R)-1-ベンジル-3-(3-アミノ-1H-インダゾール-5-イルメチル)-4α,7β-ビス(4-メチルベンジル)-5α,6β-ジヒドロキシヘキサヒドロ-1H-1,3-ジアゼピン-2-オン
  • (4R,5S,6S,7R)-1-[(3-アミノ-1H-インダゾール-5-イル)メチル]-3-ベンジル-5,6-ジヒドロキシ-4,7-ビス[(4-メチルフェニル)メチル]-1,3-ジアゼパン-2-オン
  • (4R,5S,6S,7R)-1-[(3-amino-1H-indazol-5-yl)methyl]-3-benzyl-5,6-dihydroxy-4,7-bis[(4-methylphenyl)methyl]-1,3-diazepan-2-one
Other name (1):
  • (4R)-1-Benzyl-3-(3-amino-1H-indazole-5-ylmethyl)-4α,7β-bis(4-methylbenzyl)-5α,6β-dihydroxyhexahydro-1H-1,3-diazepine-2-one
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