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113888-31-6 | L-Prolinamide, glycyl-N-[(4-methoxybenzoyl)oxy]- (9CI)
CAS No: 113888-31-6 Catalog No: AG000A0O MDL No:
Product Description
Catalog Number:
AG000A0O
Chemical Name:
L-Prolinamide, glycyl-N-[(4-methoxybenzoyl)oxy]- (9CI)
CAS Number:
113888-31-6
Molecular Formula:
C15H19N3O5
Molecular Weight:
321.3285
IUPAC Name:
[[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino] 4-methoxybenzoate
InChI:
InChI=1S/C15H19N3O5/c1-22-11-6-4-10(5-7-11)15(21)23-17-14(20)12-3-2-8-18(12)13(19)9-16/h4-7,12H,2-3,8-9,16H2,1H3,(H,17,20)
InChI Key:
PETBTOWIQQOCGI-UHFFFAOYSA-N
SMILES:
NCC(=O)N1CCC[C@H]1C(=O)NOC(=O)c1ccc(cc1)OC
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.333g/mol
Monoisotopic Mass:
321.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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