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113873-61-3 | Glycine, N-[N-(N-L-phenylalanyl-L-alanyl)glycyl]- (9CI)
CAS No: 113873-61-3 Catalog No: AG0009Z0 MDL No:
Product Description
Catalog Number:
AG0009Z0
Chemical Name:
Glycine, N-[N-(N-L-phenylalanyl-L-alanyl)glycyl]- (9CI)
CAS Number:
113873-61-3
Molecular Formula:
C16H22N4O5
Molecular Weight:
350.3697
IUPAC Name:
2-[[2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]acetyl]amino]acetic acid
InChI:
InChI=1S/C16H22N4O5/c1-10(15(24)19-8-13(21)18-9-14(22)23)20-16(25)12(17)7-11-5-3-2-4-6-11/h2-6,10,12H,7-9,17H2,1H3,(H,18,21)(H,19,24)(H,20,25)(H,22,23)
InChI Key:
TYBXVGQUDSSCMC-UHFFFAOYSA-N
SMILES:
C[C@@H](C(=O)NCC(=O)NCC(=O)O)NC(=O)[C@H](Cc1ccccc1)N
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.159g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
350.375g/mol
Monoisotopic Mass:
350.159g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
151A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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