CAS
93-83-4 Purity
less than 35.0(KOHmg/g)
93-83-4 Purity
less than 35.0(KOHmg/g)
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(-)-N-(1-r-Ethoxycarbonxyl-3-phenylpropyl)-D-alanine,benzyl ester
CAS
93836-47-6
Catalog Number
ACM93836476
Category
Other Products
Molecular Weight
369.45
Molecular Formula
C22H27NO4
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Specification
Synonyms
[R-(R*,R*)]-α-[[1-Methyl-2-oxo-2-(phenylmethoxy)ethyl]amino]benzenebutanoic Acid Ethyl Ester;
IUPAC Name
ethyl (2R)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate
SMILES
CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)OCC2=CC=CC=C2
InChI Key
KKMCJYRMPUGEEC-YLJYHZDGSA-N
Appearance
Colourless Thick Oil
Exact Mass
369.19400
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of (-)-N-(1-r-Ethoxycarbonxyl-3-phenylpropyl)-D-alanine, benzyl ester?
The molecular formula is C22H27NO4.
What is the molecular weight of (-)-N-(1-r-Ethoxycarbonxyl-3-phenylpropyl)-D-alanine, benzyl ester?
The molecular weight is 369.5 g/mol.
When was (-)-N-(1-r-Ethoxycarbonxyl-3-phenylpropyl)-D-alanine, benzyl ester created and last modified in PubChem?
It was created on 2007-02-08 and last modified on 2023-12-30.
What is the IUPAC name of (-)-N-(1-r-Ethoxycarbonxyl-3-phenylpropyl)-D-alanine, benzyl ester?
The IUPAC name is ethyl (2R)-2-[[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-phenylbutanoate.
What is the InChI of (-)-N-(1-r-Ethoxycarbonxyl-3-phenylpropyl)-D-alanine, benzyl ester?
The InChI is InChI=1S/C22H27NO4/c1-3-26-22(25)20(15-14-18-10-6-4-7-11-18)23-17(2)21(24)27-16-19-12-8-5-9-13-19/h4-13,17,20,23H,3,14-16H2,1-2H3/t17-,20-/m1/s1.
What is the InChIKey of (-)-N-(1-r-Ethoxycarbonxyl-3-phenylpropyl)-D-alanine, benzyl ester?
The InChIKey is KKMCJYRMPUGEEC-YLJYHZDGSA-N.
What is the Canonical SMILES of (-)-N-(1-r-Ethoxycarbonxyl-3-phenylpropyl)-D-alanine, benzyl ester?
The Canonical SMILES is CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)OCC2=CC=CC=C2.
What is the CAS number of (-)-N-(1-r-Ethoxycarbonxyl-3-phenylpropyl)-D-alanine, benzyl ester?
The CAS number is 93836-47-6.
What is the XLogP3-AA value of (-)-N-(1-r-Ethoxycarbonxyl-3-phenylpropyl)-D-alanine, benzyl ester?
The XLogP3-AA value is 4.2.
How many hydrogen bond donor counts are in (-)-N-(1-r-Ethoxycarbonxyl-3-phenylpropyl)-D-alanine, benzyl ester?
There is 1 hydrogen bond donor count.
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