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201852-70-2

201852-70-2 | L-Phenylalaninamide, glycyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-

CAS No: 201852-70-2 Catalog No: AG0027VJ MDL No:

Product Description

Catalog Number:
AG0027VJ
Chemical Name:
L-Phenylalaninamide, glycyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-
CAS Number:
201852-70-2
Molecular Formula:
C21H21N3O4
Molecular Weight:
379.4091
IUPAC Name:
(2S)-2-[(2-aminoacetyl)amino]-N-(4-methyl-2-oxochromen-7-yl)-3-phenylpropanamide
InChI:
InChI=1S/C21H21N3O4/c1-13-9-20(26)28-18-11-15(7-8-16(13)18)23-21(27)17(24-19(25)12-22)10-14-5-3-2-4-6-14/h2-9,11,17H,10,12,22H2,1H3,(H,23,27)(H,24,25)/t17-/m0/s1
InChI Key:
OXYDLMUFQZNZMD-KRWDZBQOSA-N
SMILES:
NCC(=O)N[C@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)Cc1ccccc1

Properties

Complexity:
627  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
379.153g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
379.416g/mol
Monoisotopic Mass:
379.153g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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