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89157-47-1 | L-Proline, 1-[[butyl(2-carboxy-4-phenylbutyl)amino]carbonyl]-
CAS No: 89157-47-1 Catalog No: AG003WOP MDL No:
Product Description
Catalog Number:
AG003WOP
Chemical Name:
L-Proline, 1-[[butyl(2-carboxy-4-phenylbutyl)amino]carbonyl]-
CAS Number:
89157-47-1
Molecular Formula:
C21H30N2O5
Molecular Weight:
390.4733
IUPAC Name:
1-[butyl-(2-carboxy-4-phenylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C21H30N2O5/c1-2-3-13-22(21(28)23-14-7-10-18(23)20(26)27)15-17(19(24)25)12-11-16-8-5-4-6-9-16/h4-6,8-9,17-18H,2-3,7,10-15H2,1H3,(H,24,25)(H,26,27)
InChI Key:
XSRSCRQRGWUWQZ-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)N1CCC[C@H]1C(=O)O)CC(C(=O)O)CCc1ccccc1
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.215g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
390.48g/mol
Monoisotopic Mass:
390.215g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
98.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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