Chem
J-GLOBAL ID：201307026873740460   Nikkaji number：J3.210.103H

Nα-(3α-Hydroxy-24-oxo-5β-cholane-24-yl)-D-tryptophan

Nα-(3α-ヒドロキシ-24-オキソ-5β-コラン-24-イル)-D-トリプトファン
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： C35H50N2O4
Molecular formula furigana： C35-H50-N2-O4
Molecular weight： 562.795
InChI： InChI=1S/C35H50N2O4/c1-21(8-13-32(39)37-31(33(40)41)18-22-20-36-30-7-5-4-6-25(22)30)27-11-12-28-26-10-9-23-19-24(38)14-16-34(23,2)29(26)15-17-35(27,28)3/h4-7,20-21,23-24,26-29,31,36,38H,8-19H2,1-3H3,(H,37,39)(H,40,41)/t21-,23-,24-,26+,27-,28+,29+,31-,34+,35-/m1/s1
InChI key： ITOFPJRDSCGOSA-UZPHBQCWSA-N
SMILES： C[C@H](CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • Nα-(3α-ヒドロキシ-24-オキソ-5β-コラン-24-イル)-D-トリプトファン
  • (2R)-2-[(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-ヒドロキシ-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-1-イル]ペンタンアミド]-3-(1H-インドール-3-イル)プロパン酸
  • (2R)-2-[(4R)-4-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanamido]-3-(1H-indol-3-yl)propanoic acid
Other name (1)：
  • Nα-(3α-Hydroxy-24-oxo-5β-cholane-24-yl)-D-tryptophan
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