(2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano[4,3,2-cd]indole-2-carboxylic acid
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![(2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano[4,3,2-cd]indole-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/73c5a1dfe3f04d27839dcc05363981b6.png "(2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano[4,3,2-cd]indole-2-carboxylic acid")
(2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano[4,3,2-cd]indole-2-carboxylic acid
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CAS No:
63339-68-4
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Formula:
C12H11NO2S
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Chemical Name:
(2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano[4,3,2-cd]indole-2-carboxylic acid
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Synonyms:
2H-Thiopyrano[4,3,2-cd]indole-2-carboxylic acid,3,5-dihydro-3-methyl-,(2R,3S)-;2H-Thiopyrano[4,3,2-cd]indole-2-carboxylic acid,3,5-dihydro-3-methyl-,(2R-cis)-;(2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano[4,3,2-cd]indole-2-carboxylic acid;Chuangxinmycin;Chuanghsinmycin;(-)-Chuangxinmycin
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CAS No:
Description
ChEBI: A thiinoindole that is 3,5-dihydro-2H-thiino[4,3,2-cd]indole which is substituted at positions 2 and 3 by carboxy and methyl groups, respectively (the 2R,3S diastereoisomer).
(-)-chuangxinmycin is a thiinoindole that is 3,5-dihydro-2H-thiino[4,3,2-cd]indole which is substituted at positions 2 and 3 by carboxy and methyl groups, respectively (the 2R,3S diastereoisomer). It has a role as an EC 6.1.1.2 (tryptophan--tRNA ligase) inhibitor, an antibacterial agent, an antimicrobial agent and a bacterial metabolite. It is a monocarboxylic acid, a thiinoindole and an indole alkaloid.
(2R,3S)-3,5-Dihydro-3-methyl-2H-thiopyrano[4,3,2-cd]indole-2-carboxylic acid Basic Attributes
233.29
233.29
DTXSID00212722
Computed Properties
Molecular Weight:233.29
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:233.05104977
Monoisotopic Mass:233.05104977
Topological Polar Surface Area:78.4
Heavy Atom Count:16
Complexity:309
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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