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102650-29-3 | Glycine, N-[(2S)-3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-N-[2-[bis(carboxymethyl)amino]ethyl]-
CAS No: 102650-29-3 Catalog No: AG00081G MDL No:
Product Description
Catalog Number:
AG00081G
Chemical Name:
Glycine, N-[(2S)-3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-N-[2-[bis(carboxymethyl)amino]ethyl]-
CAS Number:
102650-29-3
Molecular Formula:
C21H30N4O10
Molecular Weight:
498.4837
IUPAC Name:
2-[[3-(4-aminophenyl)-2-[bis(carboxymethyl)amino]propyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
InChI:
InChI=1S/C21H30N4O10/c22-15-3-1-14(2-4-15)7-16(25(12-20(32)33)13-21(34)35)8-23(9-17(26)27)5-6-24(10-18(28)29)11-19(30)31/h1-4,16H,5-13,22H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)
InChI Key:
FEZWPBDUNJUSES-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C[C@@H](N(CC(=O)O)CC(=O)O)Cc1ccc(cc1)N)CCN(CC(=O)O)CC(=O)O
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.196g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
498.489g/mol
Monoisotopic Mass:
498.196g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
222A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.2
Literature
| Title | Journal |
|---|---|
| Micelles based on biodegradable poly(L-glutamic acid)-b-polylactide with paramagnetic Gd ions chelated to the shell layer as a potential nanoscale MRI-visible delivery system. | Biomacromolecules 20080101 |
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