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99975-89-0 | Alanine, 2-methylalanylglycyl-2-methyl-
CAS No: 99975-89-0 Catalog No: AG003VKX MDL No:
Product Description
Catalog Number:
AG003VKX
Chemical Name:
Alanine, 2-methylalanylglycyl-2-methyl-
CAS Number:
99975-89-0
Molecular Formula:
C10H19N3O4
Molecular Weight:
245.2756
IUPAC Name:
2-[[2-[(2-amino-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoic acid
InChI:
InChI=1S/C10H19N3O4/c1-9(2,11)7(15)12-5-6(14)13-10(3,4)8(16)17/h5,11H2,1-4H3,(H,12,15)(H,13,14)(H,16,17)
InChI Key:
HIWZEZFVMVUTEU-UHFFFAOYSA-N
SMILES:
O=C(NC(C(=O)O)(C)C)CNC(=O)C(N)(C)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.138g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
245.279g/mol
Monoisotopic Mass:
245.138g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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