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123432-68-8 | L-Tyrosine, L-glutaminyl-L-phenylalanyl-
CAS No: 123432-68-8 Catalog No: AG000KKP MDL No:
Product Description
Catalog Number:
AG000KKP
Chemical Name:
L-Tyrosine, L-glutaminyl-L-phenylalanyl-
CAS Number:
123432-68-8
Molecular Formula:
C23H28N4O6
Molecular Weight:
456.4916
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C23H28N4O6/c24-17(10-11-20(25)29)21(30)26-18(12-14-4-2-1-3-5-14)22(31)27-19(23(32)33)13-15-6-8-16(28)9-7-15/h1-9,17-19,28H,10-13,24H2,(H2,25,29)(H,26,30)(H,27,31)(H,32,33)/t17-,18-,19-/m0/s1
InChI Key:
ZVQZXPADLZIQFF-FHWLQOOXSA-N
SMILES:
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)Cc1ccccc1)N
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
456.201g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
456.499g/mol
Monoisotopic Mass:
456.201g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6
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