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824429-39-2 | L-Aspartic acid, N-(2-methyl-1-oxo-2-propenyl)glycylglycyl-, diethyl ester
CAS No: 824429-39-2 Catalog No: AG004W02 MDL No:
Product Description
Catalog Number:
AG004W02
Chemical Name:
L-Aspartic acid, N-(2-methyl-1-oxo-2-propenyl)glycylglycyl-, diethyl ester
CAS Number:
824429-39-2
Molecular Formula:
C16H25N3O7
Molecular Weight:
371.3856
IUPAC Name:
diethyl (2S)-2-[[2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]acetyl]amino]butanedioate
InChI:
InChI=1S/C16H25N3O7/c1-5-25-14(22)7-11(16(24)26-6-2)19-13(21)9-17-12(20)8-18-15(23)10(3)4/h11H,3,5-9H2,1-2,4H3,(H,17,20)(H,18,23)(H,19,21)/t11-/m0/s1
InChI Key:
HVYJCJLERHGAGX-NSHDSACASA-N
SMILES:
CCOC(=O)[C@H](CC(=O)OCC)NC(=O)CNC(=O)CNC(=O)C(=C)C
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
371.169g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
371.39g/mol
Monoisotopic Mass:
371.169g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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