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15761-60-1 | L-Tyrosinamide, glycyl-, monoacetate (salt) (9CI)
CAS No: 15761-60-1 Catalog No: AG001PKS MDL No:
Product Description
Catalog Number:
AG001PKS
Chemical Name:
L-Tyrosinamide, glycyl-, monoacetate (salt) (9CI)
CAS Number:
15761-60-1
Molecular Formula:
C13H17N3O4
Molecular Weight:
279.2918
IUPAC Name:
acetic acid;(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanamide
InChI:
InChI=1S/C11H15N3O3.C2H4O2/c12-6-10(16)14-9(11(13)17)5-7-1-3-8(15)4-2-7;1-2(3)4/h1-4,9,15H,5-6,12H2,(H2,13,17)(H,14,16);1H3,(H,3,4)/t9-;/m0./s1
InChI Key:
FHPNGGMTCHTRDO-FVGYRXGTSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N)Cc1ccc(cc1)OC(=O)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
297.132g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
297.311g/mol
Monoisotopic Mass:
297.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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