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189694-03-9 | L-Glutamine, L-lysyl-L-leucyl-L-alanyl-L-asparaginyl- (9CI)
CAS No: 189694-03-9 Catalog No: AG002DWA MDL No:
Product Description
Catalog Number:
AG002DWA
Chemical Name:
L-Glutamine, L-lysyl-L-leucyl-L-alanyl-L-asparaginyl- (9CI)
CAS Number:
189694-03-9
Molecular Formula:
C24H44N8O8
Molecular Weight:
572.6550
IUPAC Name:
(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C24H44N8O8/c1-12(2)10-16(32-21(36)14(26)6-4-5-9-25)22(37)29-13(3)20(35)31-17(11-19(28)34)23(38)30-15(24(39)40)7-8-18(27)33/h12-17H,4-11,25-26H2,1-3H3,(H2,27,33)(H2,28,34)(H,29,37)(H,30,38)(H,31,35)(H,32,36)(H,39,40)/t13-,14-,15-,16-,17-/m0/s1
InChI Key:
NOGOBXRIWUOHEU-WOYTXXSLSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CC(=O)N)C)CC(C)C)N
Properties
Complexity:
913
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
572.328g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
572.664g/mol
Monoisotopic Mass:
572.328g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
292A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.6
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