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114501-87-0 | D-Proline, 1-[N-[(phenylmethoxy)carbonyl]glycyl]- (9CI)
CAS No: 114501-87-0 Catalog No: AG000ELR MDL No:
Product Description
Catalog Number:
AG000ELR
Chemical Name:
D-Proline, 1-[N-[(phenylmethoxy)carbonyl]glycyl]- (9CI)
CAS Number:
114501-87-0
Molecular Formula:
C15H18N2O5
Molecular Weight:
306.3138
IUPAC Name:
1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C15H18N2O5/c18-13(17-8-4-7-12(17)14(19)20)9-16-15(21)22-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,16,21)(H,19,20)
InChI Key:
ZTUKZKYDJMGJDC-UHFFFAOYSA-N
SMILES:
O=C(OCc1ccccc1)NCC(=O)N1CCC[C@@H]1C(=O)O
NSC Number:
89634
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
306.318g/mol
Monoisotopic Mass:
306.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Chiral separation of amines with N-benzoxycarbonylglycyl-L-proline as selector in non-aqueous capillary electrophoresis using methanol and 1,2-dichloroethane in the background electrolyte. | Journal of chromatography. A 20030117 |
| Structures of prolyl oligopeptidase substrate/inhibitor complexes. Use of inhibitor binding for titration of the catalytic histidine residue. | The Journal of biological chemistry 20010112 |
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