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133066-53-2 | L-Prolinamide, L-lysyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-
CAS No: 133066-53-2 Catalog No: AG00145U MDL No:
Product Description
Catalog Number:
AG00145U
Chemical Name:
L-Prolinamide, L-lysyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-
CAS Number:
133066-53-2
Molecular Formula:
C21H28N4O4
Molecular Weight:
400.4714
IUPAC Name:
(2S)-1-[(2S)-2,6-diaminohexanoyl]-N-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2-carboxamide
InChI:
InChI=1S/C21H28N4O4/c1-13-11-19(26)29-18-12-14(7-8-15(13)18)24-20(27)17-6-4-10-25(17)21(28)16(23)5-2-3-9-22/h7-8,11-12,16-17H,2-6,9-10,22-23H2,1H3,(H,24,27)/t16-,17-/m0/s1
InChI Key:
NSYORZKUSRQUFF-IRXDYDNUSA-N
SMILES:
NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)oc(=O)cc2C)N
Properties
Complexity:
665
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
400.211g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
400.479g/mol
Monoisotopic Mass:
400.211g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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