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156078-79-4 | L-Glutamic acid, N-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl]-
CAS No: 156078-79-4 Catalog No: AG001OHH MDL No:
Product Description
Catalog Number:
AG001OHH
Chemical Name:
L-Glutamic acid, N-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonyl]-
CAS Number:
156078-79-4
Molecular Formula:
C16H20Cl2N2O6
Molecular Weight:
407.2458
IUPAC Name:
(2S)-2-[[4-[bis(2-chloroethyl)amino]phenoxy]carbonylamino]pentanedioic acid
InChI:
InChI=1S/C16H20Cl2N2O6/c17-7-9-20(10-8-18)11-1-3-12(4-2-11)26-16(25)19-13(15(23)24)5-6-14(21)22/h1-4,13H,5-10H2,(H,19,25)(H,21,22)(H,23,24)/t13-/m0/s1
InChI Key:
IWDNRGMFTDZABC-ZDUSSCGKSA-N
SMILES:
ClCCN(c1ccc(cc1)OC(=O)N[C@H](C(=O)O)CCC(=O)O)CCCl
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
406.07g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
407.244g/mol
Monoisotopic Mass:
406.07g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Radiosynthesis of 4-[(2-chloroethyl)(2-[(11)C]ethyl)amino]-phenoxycarbonyl-l-glutamic acid a half mustard prodrug as a potential probe for imaging antibody- and gene-directed enzyme prodrug therapy with positron emission tomography. | Applied radiation and isotopes : including data, instrumentation and methods for use in agriculture, industry and medicine 20040601 |
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