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139964-63-9 | L-Alanine, glycylglycylglycyl-L-alanyl-
CAS No: 139964-63-9 Catalog No: AG001BW7 MDL No:
Product Description
Catalog Number:
AG001BW7
Chemical Name:
L-Alanine, glycylglycylglycyl-L-alanyl-
CAS Number:
139964-63-9
Molecular Formula:
C12H21N5O6
Molecular Weight:
331.3250
IUPAC Name:
2-[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]propanoylamino]propanoic acid
InChI:
InChI=1S/C12H21N5O6/c1-6(11(21)17-7(2)12(22)23)16-10(20)5-15-9(19)4-14-8(18)3-13/h6-7H,3-5,13H2,1-2H3,(H,14,18)(H,15,19)(H,16,20)(H,17,21)(H,22,23)
InChI Key:
ZSXNSEUSQJUDMK-UHFFFAOYSA-N
SMILES:
NCC(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.149g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
331.329g/mol
Monoisotopic Mass:
331.149g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
180A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.2
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