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133066-55-4 | L-Alaninamide, glycyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-
CAS No: 133066-55-4 Catalog No: AG00145T MDL No:
Product Description
Catalog Number:
AG00145T
Chemical Name:
L-Alaninamide, glycyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-
CAS Number:
133066-55-4
Molecular Formula:
C15H17N3O4
Molecular Weight:
303.3132
IUPAC Name:
(2S)-2-[(2-aminoacetyl)amino]-N-(4-methyl-2-oxochromen-7-yl)propanamide
InChI:
InChI=1S/C15H17N3O4/c1-8-5-14(20)22-12-6-10(3-4-11(8)12)18-15(21)9(2)17-13(19)7-16/h3-6,9H,7,16H2,1-2H3,(H,17,19)(H,18,21)/t9-/m0/s1
InChI Key:
BMEZHLNVELACDZ-VIFPVBQESA-N
SMILES:
NCC(=O)N[C@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)C
Properties
Complexity:
503
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
303.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
303.318g/mol
Monoisotopic Mass:
303.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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