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2351-96-4 | 2,2,4-Pyrrolidinetricarboxylic acid, 5-oxo-3-pentyl-, 2,2,4-triethyl ester
CAS No: 2351-96-4 Catalog No: AG002NHH MDL No:
Product Description
Catalog Number:
AG002NHH
Chemical Name:
2,2,4-Pyrrolidinetricarboxylic acid, 5-oxo-3-pentyl-, 2,2,4-triethyl ester
CAS Number:
2351-96-4
Molecular Formula:
C18H29NO7
Molecular Weight:
371.4254
IUPAC Name:
triethyl 5-oxo-3-pentylpyrrolidine-2,2,4-tricarboxylate
InChI:
InChI=1S/C18H29NO7/c1-5-9-10-11-12-13(15(21)24-6-2)14(20)19-18(12,16(22)25-7-3)17(23)26-8-4/h12-13H,5-11H2,1-4H3,(H,19,20)
InChI Key:
DLUUCPGURIULFB-UHFFFAOYSA-N
SMILES:
CCCCCC1C(C(=O)OCC)C(=O)NC1(C(=O)OCC)C(=O)OCC
NSC Number:
83652
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.194g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
371.43g/mol
Monoisotopic Mass:
371.194g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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