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141646-01-7 | L-Alanine, N-[N-(N-L-valyl-L-threonyl)-L-seryl]- (9CI)
CAS No: 141646-01-7 Catalog No: AG001GU0 MDL No:
Product Description
Catalog Number:
AG001GU0
Chemical Name:
L-Alanine, N-[N-(N-L-valyl-L-threonyl)-L-seryl]- (9CI)
CAS Number:
141646-01-7
Molecular Formula:
C15H28N4O7
Molecular Weight:
376.4054
IUPAC Name:
2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]propanoic acid
InChI:
InChI=1S/C15H28N4O7/c1-6(2)10(16)13(23)19-11(8(4)21)14(24)18-9(5-20)12(22)17-7(3)15(25)26/h6-11,20-21H,5,16H2,1-4H3,(H,17,22)(H,18,24)(H,19,23)(H,25,26)
InChI Key:
WFQIJHLYJYZHOY-UHFFFAOYSA-N
SMILES:
OC[C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)N
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.196g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
376.41g/mol
Monoisotopic Mass:
376.196g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
191A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.5
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