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823803-08-3 | L-Asparagine, N-(mercaptoacetyl)-L-valyl-
CAS No: 823803-08-3 Catalog No: AG004Y15 MDL No:
Product Description
Catalog Number:
AG004Y15
Chemical Name:
L-Asparagine, N-(mercaptoacetyl)-L-valyl-
CAS Number:
823803-08-3
Molecular Formula:
C11H19N3O5S
Molecular Weight:
305.3507
IUPAC Name:
(2S)-4-amino-2-[[(2S)-3-methyl-2-[(2-sulfanylacetyl)amino]butanoyl]amino]-4-oxobutanoic acid
InChI:
InChI=1S/C11H19N3O5S/c1-5(2)9(14-8(16)4-20)10(17)13-6(11(18)19)3-7(12)15/h5-6,9,20H,3-4H2,1-2H3,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)/t6-,9-/m0/s1
InChI Key:
XYRYCMNZHNVGOW-RCOVLWMOSA-N
SMILES:
SCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)C(C)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
305.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
305.349g/mol
Monoisotopic Mass:
305.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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