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88169-77-1 | L-Alanine, N-[N-(O-phosphono-L-seryl)-L-valyl]-
CAS No: 88169-77-1 Catalog No: AG004FJJ MDL No:
Product Description
Catalog Number:
AG004FJJ
Chemical Name:
L-Alanine, N-[N-(O-phosphono-L-seryl)-L-valyl]-
CAS Number:
88169-77-1
Molecular Formula:
C11H22N3O8P
Molecular Weight:
355.2814
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phosphonooxypropanoyl]amino]-3-methylbutanoyl]amino]propanoic acid
InChI:
InChI=1S/C11H22N3O8P/c1-5(2)8(10(16)13-6(3)11(17)18)14-9(15)7(12)4-22-23(19,20)21/h5-8H,4,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H2,19,20,21)/t6-,7-,8-/m0/s1
InChI Key:
IHVXMIRRVDJEGO-FXQIFTODSA-N
SMILES:
CC([C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)[C@H](COP(=O)(O)O)N)C
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
355.114g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
355.284g/mol
Monoisotopic Mass:
355.114g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.9
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