Chem
J-GLOBAL ID:200907073534722483
Nikkaji number:J583.172E
SR-49711
SR-49711
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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:
C29 H29 ClN4 O5
Molecular formula furigana:
C29-H29-CL-N4-O5
Molecular weight:
549.020
InChI:
InChI=1S/C29H29ClN4O5/c1-38-24-9-6-10-25(39-2)26(24)23-16-21(28(35)32-27(29(36)37)17-7-4-3-5-8-17)33-34(23)22-13-14-31-20-15-18(30)11-12-19(20)22/h6,9-17,27H,3-5,7-8H2,1-2H3,(H,32,35)(H,36,37)/t27-/m1/s1
InChI key:
PXNTUYAGLGTUKX-HHHXNRCGSA-N
SMILES:
COc1cccc(OC)c1c1cc(nn1c1ccnc2cc(Cl)ccc12)C(=O)N[C@H](C1CCCCC1)C(=O)O
Systematic name (3):
(R)-[1-(7-クロロ-4-キノリニル)-5-(2,6-ジメトキシフェニル)-1H-ピラゾール-3-イルカルボニルアミノ]シクロヘキシル酢酸
(2R)-2-{[1-(7-クロロキノリン-4-イル)-5-(2,6-ジメトキシフェニル)-1H-ピラゾール-3-イル]ホルムアミド}-2-シクロヘキシル酢酸
(2R)-2-{[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-yl]formamido}-2-cyclohexylacetic acid
Other name (2):
SR-49711
(R)-[1-(7-Chloro-4-quinolinyl)-5-(2,6-dimethoxyphenyl)-1H-pyrazol-3-ylcarbonylamino]cyclohexylacetic acid
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