Chem
J-GLOBAL ID:200907020509794490
Nikkaji number:J384.296G
Candoxatrilat
カンドキサトリラト
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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:
C20 H33 NO7
Molecular formula furigana:
C20-H33-N-O7
Molecular weight:
399.484
InChI:
InChI=1S/C20H33NO7/c1-27-10-11-28-13-15(18(24)25)12-20(8-2-3-9-20)19(26)21-16-6-4-14(5-7-16)17(22)23/h14-16H,2-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t14-,15-,16+/m0/s1
InChI key:
ACZWIDANLCXHBM-HRCADAONSA-N
SMILES:
COCCOC[C@H](CC1(CCCC1)C(=O)N[C@H]1CC[C@H](CC1)C(=O)O)C(=O)O
Systematic name (3):
4α-[[[1-[(S)-2-カルボキシ-3-(2-メトキシエトキシ)プロピル]シクロペンチル]カルボニル]アミノ]シクロヘキサン-1α-カルボン酸
(1s,4s)-4-{1-[(2S)-2-カルボキシ-2-[(2-メトキシエトキシ)メチル]エチル]シクロペンタネアミド}シクロヘキサン-1-カルボン酸
(1s,4s)-4-{1-[(2S)-2-carboxy-2-[(2-methoxyethoxy)methyl]ethyl]cyclopentaneamido}cyclohexane-1-carboxylic acid
Other name (5):
4α-[[[1-[(S)-2-Carboxy-3-(2-methoxyethoxy)propyl]cyclopentyl]carbonyl]amino]cyclohexane-1α-carboxylic acid
UK-73967
カンドキサトリラット
Candoxatrilat
カンドキサトリラト
CAS registry number:
123122-54-3
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