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921933-87-1 | L-Serine, D-alanyl-O-(2-methylbenzoyl)-
CAS No: 921933-87-1 Catalog No: AG006FTN MDL No:
Product Description
Catalog Number:
AG006FTN
Chemical Name:
L-Serine, D-alanyl-O-(2-methylbenzoyl)-
CAS Number:
921933-87-1
Molecular Formula:
C14H18N2O5
Molecular Weight:
294.3031
IUPAC Name:
(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-(2-methylbenzoyl)oxypropanoic acid
InChI:
InChI=1S/C14H18N2O5/c1-8-5-3-4-6-10(8)14(20)21-7-11(13(18)19)16-12(17)9(2)15/h3-6,9,11H,7,15H2,1-2H3,(H,16,17)(H,18,19)/t9-,11+/m1/s1
InChI Key:
AWLAAGXVAKBLOG-KOLCDFICSA-N
SMILES:
OC(=O)[C@@H](NC(=O)[C@H](N)C)COC(=O)c1ccccc1C
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
294.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
294.307g/mol
Monoisotopic Mass:
294.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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