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149231-66-3 | L-α-Asparagine, N-acetyl-L-tyrosyl-L-valyl-L-alanyl-N-(4-nitrophenyl)-
CAS No: 149231-66-3 Catalog No: AG001LIA MDL No:
Product Description
Catalog Number:
AG001LIA
Chemical Name:
L-α-Asparagine, N-acetyl-L-tyrosyl-L-valyl-L-alanyl-N-(4-nitrophenyl)-
CAS Number:
149231-66-3
Molecular Formula:
C29H36N6O10
Molecular Weight:
628.6303
IUPAC Name:
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-(4-nitroanilino)-4-oxobutanoic acid
InChI:
InChI=1S/C29H36N6O10/c1-15(2)25(34-28(42)22(31-17(4)36)13-18-5-11-21(37)12-6-18)29(43)30-16(3)26(40)33-23(14-24(38)39)27(41)32-19-7-9-20(10-8-19)35(44)45/h5-12,15-16,22-23,25,37H,13-14H2,1-4H3,(H,30,43)(H,31,36)(H,32,41)(H,33,40)(H,34,42)(H,38,39)/t16-,22-,23-,25-/m0/s1
InChI Key:
YDPNOCSPPGFBPX-XNHCRPTKSA-N
SMILES:
CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N)CC(=O)O)c1ccc(cc1)[N+](=O)[O-])C)C(C)C)Cc1ccc(cc1)O
Properties
Complexity:
1080
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
628.249g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
628.639g/mol
Monoisotopic Mass:
628.249g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
249A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Elevated vulnerability to oxidative stress-induced cell death and activation of caspase-3 by the Swedish amyloid precursor protein mutation. | Journal of neuroscience research 20010415 |
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