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189032-07-3 | L-Glutamic acid, L-lysyl-N-methyl-L-valyl- (9CI)
CAS No: 189032-07-3 Catalog No: AG002HQA MDL No:
Product Description
Catalog Number:
AG002HQA
Chemical Name:
L-Glutamic acid, L-lysyl-N-methyl-L-valyl- (9CI)
CAS Number:
189032-07-3
Molecular Formula:
C17H32N4O6
Molecular Weight:
388.4592
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]-methylamino]-3-methylbutanoyl]amino]pentanedioic acid
InChI:
InChI=1S/C17H32N4O6/c1-10(2)14(21(3)16(25)11(19)6-4-5-9-18)15(24)20-12(17(26)27)7-8-13(22)23/h10-12,14H,4-9,18-19H2,1-3H3,(H,20,24)(H,22,23)(H,26,27)/t11-,12-,14-/m0/s1
InChI Key:
JQOPFSDLEPPYBD-OBJOEFQTSA-N
SMILES:
NCCCC[C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)C(C)C)C)N
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
388.232g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
388.465g/mol
Monoisotopic Mass:
388.232g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.4
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