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130571-32-3 | L-Prolinamide, L-leucyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-
CAS No: 130571-32-3 Catalog No: AG000UNW MDL No:
Product Description
Catalog Number:
AG000UNW
Chemical Name:
L-Prolinamide, L-leucyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-
CAS Number:
130571-32-3
Molecular Formula:
C21H27N3O4
Molecular Weight:
385.4568
IUPAC Name:
1-(2-amino-4-methylpentanoyl)-N-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2-carboxamide
InChI:
InChI=1S/C21H27N3O4/c1-12(2)9-16(22)21(27)24-8-4-5-17(24)20(26)23-14-6-7-15-13(3)10-19(25)28-18(15)11-14/h6-7,10-12,16-17H,4-5,8-9,22H2,1-3H3,(H,23,26)
InChI Key:
DSZDUACXCVQTLL-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)oc(=O)cc2C)N)C
Properties
Complexity:
660
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.2g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
385.464g/mol
Monoisotopic Mass:
385.2g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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