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115035-46-6 | L-Prolinamide, glycyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, monohydrobromide (9CI)
CAS No: 115035-46-6 Catalog No: AG000FRI MDL No:
Product Description
Catalog Number:
AG000FRI
Chemical Name:
L-Prolinamide, glycyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, monohydrobromide (9CI)
CAS Number:
115035-46-6
Molecular Formula:
C17H20BrN3O4
Molecular Weight:
410.2624
IUPAC Name:
(2S)-1-(2-aminoacetyl)-N-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2-carboxamide;hydrobromide
InChI:
InChI=1S/C17H19N3O4.BrH/c1-10-7-16(22)24-14-8-11(4-5-12(10)14)19-17(23)13-3-2-6-20(13)15(21)9-18;/h4-5,7-8,13H,2-3,6,9,18H2,1H3,(H,19,23);1H/t13-;/m0./s1
InChI Key:
PASXTQMFJRHMLJ-ZOWNYOTGSA-N
SMILES:
NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)oc(=O)cc2C.Br
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
409.064g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
410.268g/mol
Monoisotopic Mass:
409.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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