CAS
93841-77-1 Purity
96%
93841-77-1 Purity
96%
![Phosphonicacid,[[3,6,9,12-tetrakis(phosphonomethyl)-3,6,9,12-tetraazatetradecane-1,14-diyl]bis[nitrilobis(methylene)]]tetrakis-,hexadecaammonium salt(9ci)](https://resource.alfa-chemistry.com/structure/93842-79-6.gif)
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(-)-N-(1-r-Ethoxycarbonxyl-3-phenylpropyl)-L-alanine,benzyl ester
CAS
93841-86-2
Catalog Number
ACM93841862
Category
Other Products
Molecular Weight
369.45
Molecular Formula
C22H27NO4
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Specification
Synonyms
(αR)-α-[[(1S)-1-Methyl-2-oxo-2-(phenylmethoxy)ethyl]amino]benzenebutanoic Acid Ethyl Ester;
IUPAC Name
ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate
Canonical SMILES
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)OCC2=CC=CC=C2
InChI Key
KKMCJYRMPUGEEC-FXAWDEMLSA-N
Boiling Point
487.3±45.0 °C (760 mmHg)
Density
1.114±0.06 g/cm³ (20 °C, 760 mmHg)
Appearance
Colourless Thick Oil
Exact Mass
369.19400
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula is C22H27NO4.
What are some synonyms for the compound?
Some synonyms include (-)-N-(1-R-Ethoxycarbonxyl-3-phenylpropyl)-L-alanine benzyl ester and ethyl (2R)-2-[[(2S)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate.
When was the compound created and modified in PubChem?
The compound was created on 2007-02-08 and modified on 2023-12-30.
What is the molecular weight of the compound?
The molecular weight is 369.5 g/mol.
What is the InChIKey of the compound?
The InChIKey is KKMCJYRMPUGEEC-FXAWDEMLSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 64.6 Å^2.
Does the compound have any defined atom stereocenter counts?
Yes, the compound has 2 defined atom stereocenter counts.
How many rotatable bond counts does the compound have?
The compound has 12 rotatable bond counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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CAS
93841-84-0 Purity
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93841-84-0 Purity
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