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288584-10-1 | L-Aspartic acid, L-valyl-L-asparaginyl-L-leucyl-
CAS No: 288584-10-1 Catalog No: AG002WUR MDL No:
Product Description
Catalog Number:
AG002WUR
Chemical Name:
L-Aspartic acid, L-valyl-L-asparaginyl-L-leucyl-
CAS Number:
288584-10-1
Molecular Formula:
C19H33N5O8
Molecular Weight:
459.4940
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]butanedioic acid
InChI:
InChI=1S/C19H33N5O8/c1-8(2)5-10(16(28)24-12(19(31)32)7-14(26)27)22-17(29)11(6-13(20)25)23-18(30)15(21)9(3)4/h8-12,15H,5-7,21H2,1-4H3,(H2,20,25)(H,22,29)(H,23,30)(H,24,28)(H,26,27)(H,31,32)/t10-,11-,12-,15-/m0/s1
InChI Key:
LMYGVKLHVGXLJR-ASHKBJFXSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)O)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)N)CC(=O)N)C
Properties
Complexity:
725
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
459.233g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
459.5g/mol
Monoisotopic Mass:
459.233g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
231A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.9
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