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145006-15-1 | L-Aspartic acid, L-leucyl-L-glutaminyl-L-threonyl- (9CI)
CAS No: 145006-15-1 Catalog No: AG001KGM MDL No:
Product Description
Catalog Number:
AG001KGM
Chemical Name:
L-Aspartic acid, L-leucyl-L-glutaminyl-L-threonyl- (9CI)
CAS Number:
145006-15-1
Molecular Formula:
C19H33N5O9
Molecular Weight:
475.4934
IUPAC Name:
2-[[2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]butanedioic acid
InChI:
InChI=1S/C19H33N5O9/c1-8(2)6-10(20)16(29)22-11(4-5-13(21)26)17(30)24-15(9(3)25)18(31)23-12(19(32)33)7-14(27)28/h8-12,15,25H,4-7,20H2,1-3H3,(H2,21,26)(H,22,29)(H,23,31)(H,24,30)(H,27,28)(H,32,33)
InChI Key:
VBIGLWAILMQKQT-UHFFFAOYSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)O)[C@H](O)C)CCC(=O)N)N)C
Properties
Complexity:
743
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.228g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
475.499g/mol
Monoisotopic Mass:
475.228g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
251A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.1
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