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198063-22-8 | Glycine, L-asparaginyl-L-alanyl-L-lysyl-L-alanyl- (9CI)
CAS No: 198063-22-8 Catalog No: AG002B9K MDL No:
Product Description
Catalog Number:
AG002B9K
Chemical Name:
Glycine, L-asparaginyl-L-alanyl-L-lysyl-L-alanyl- (9CI)
CAS Number:
198063-22-8
Molecular Formula:
C18H33N7O7
Molecular Weight:
459.4973
IUPAC Name:
2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]acetic acid
InChI:
InChI=1S/C18H33N7O7/c1-9(15(29)22-8-14(27)28)24-18(32)12(5-3-4-6-19)25-16(30)10(2)23-17(31)11(20)7-13(21)26/h9-12H,3-8,19-20H2,1-2H3,(H2,21,26)(H,22,29)(H,23,31)(H,24,32)(H,25,30)(H,27,28)/t9-,10-,11-,12-/m0/s1
InChI Key:
XXNHRWDDUAFIFG-BJDJZHNGSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)O)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)C
Properties
Complexity:
701
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
459.244g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
459.504g/mol
Monoisotopic Mass:
459.244g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
249A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.2
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