CAS
904311-15-5 Purity
96%
904311-15-5 Purity
96%
![2,7-Naphthalenedisulfonic acid,4-amino-5-hydroxy-,diazotized,coupled with diazotized 2-[(4-aminophenyl)amino]-5-nitrobenzenesulfonic acid,diazotized 4-nitrobenzenamine and resorcinol,potassium so](https://resource.alfa-chemistry.com/structure/90432-00-1.gif)
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2-[2-(9H-Fluoren-9-yloxy)-acetylamino]-6-thioacetylamino-hexanoic acid
CAS
904314-07-4
Catalog Number
ACM904314074
Category
Other Products
Molecular Weight
426.53
Molecular Formula
C23H26N2O4S
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Specification
IUPAC Name
1-tert-butyl-3-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]urea
Canonical SMILES
CC(C)(C)NC(=O)NC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3CCCCC3
InChI Key
OEIWMJZSRVYJLR-UHFFFAOYSA-N
What is the molecular formula of the compound?
The molecular formula of the compound is C23H26N2O4S.
What is the molecular weight of the compound?
The molecular weight of the compound is 426.5 g/mol.
When was the compound first created?
The compound was first created on November 19, 2009.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (2S)-6-(ethanethioylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid.
What is the InChIKey of the compound?
The InChIKey of the compound is KGWUZOOAQWJKKA-NRFANRHFSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.7.
How many rotatable bond counts does the compound have?
The compound has 10 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 120 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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