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87974-94-5 | Glutamic acid, N-benzoyl-4-(benzoylamino)-2-butyl-, dimethyl ester
CAS No: 87974-94-5 Catalog No: AG004LWS MDL No:
Product Description
Catalog Number:
AG004LWS
Chemical Name:
Glutamic acid, N-benzoyl-4-(benzoylamino)-2-butyl-, dimethyl ester
CAS Number:
87974-94-5
Molecular Formula:
C25H30N2O6
Molecular Weight:
454.5155
IUPAC Name:
dimethyl (2S)-2,4-dibenzamido-2-butylpentanedioate
InChI:
InChI=1S/C25H30N2O6/c1-4-5-16-25(24(31)33-3,27-22(29)19-14-10-7-11-15-19)17-20(23(30)32-2)26-21(28)18-12-8-6-9-13-18/h6-15,20H,4-5,16-17H2,1-3H3,(H,26,28)(H,27,29)/t20?,25-/m0/s1
InChI Key:
SJPXIABHCWOPQE-KUXBLMNESA-N
SMILES:
CCCC[C@](C(=O)OC)(NC(=O)c1ccccc1)CC(C(=O)OC)NC(=O)c1ccccc1
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
454.21g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
454.523g/mol
Monoisotopic Mass:
454.21g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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