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845510-09-0 | L-Asparagine, L-asparaginyl-L-leucyl-L-isoleucyl-
CAS No: 845510-09-0 Catalog No: AG004RA3 MDL No:
Product Description
Catalog Number:
AG004RA3
Chemical Name:
L-Asparagine, L-asparaginyl-L-leucyl-L-isoleucyl-
CAS Number:
845510-09-0
Molecular Formula:
C20H36N6O7
Molecular Weight:
472.5358
IUPAC Name:
(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C20H36N6O7/c1-5-10(4)16(19(31)25-13(20(32)33)8-15(23)28)26-18(30)12(6-9(2)3)24-17(29)11(21)7-14(22)27/h9-13,16H,5-8,21H2,1-4H3,(H2,22,27)(H2,23,28)(H,24,29)(H,25,31)(H,26,30)(H,32,33)/t10-,11-,12-,13-,16-/m0/s1
InChI Key:
QXGCYGGQZKVQRJ-YTORKDELSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)CC(C)C)C
Properties
Complexity:
742
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
472.265g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
472.543g/mol
Monoisotopic Mass:
472.265g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
237A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.3
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