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849108-21-0 | L-Tyrosine, N-acetyl-L-tryptophyl-
CAS No: 849108-21-0 Catalog No: AG004LY8 MDL No:
Product Description
Catalog Number:
AG004LY8
Chemical Name:
L-Tyrosine, N-acetyl-L-tryptophyl-
CAS Number:
849108-21-0
Molecular Formula:
C22H23N3O5
Molecular Weight:
409.4351
IUPAC Name:
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C22H23N3O5/c1-13(26)24-19(11-15-12-23-18-5-3-2-4-17(15)18)21(28)25-20(22(29)30)10-14-6-8-16(27)9-7-14/h2-9,12,19-20,23,27H,10-11H2,1H3,(H,24,26)(H,25,28)(H,29,30)/t19-,20-/m0/s1
InChI Key:
ZUNZRHYYZWCRDB-PMACEKPBSA-N
SMILES:
CC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
409.164g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
409.442g/mol
Monoisotopic Mass:
409.164g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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