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123743-68-0 | L-Alanine, L-tyrosyl-L-tyrosyl-
CAS No: 123743-68-0 Catalog No: AG000L0Z MDL No:
Product Description
Catalog Number:
AG000L0Z
Chemical Name:
L-Alanine, L-tyrosyl-L-tyrosyl-
CAS Number:
123743-68-0
Molecular Formula:
C21H25N3O6
Molecular Weight:
415.4397
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoic acid
InChI:
InChI=1S/C21H25N3O6/c1-12(21(29)30)23-20(28)18(11-14-4-8-16(26)9-5-14)24-19(27)17(22)10-13-2-6-15(25)7-3-13/h2-9,12,17-18,25-26H,10-11,22H2,1H3,(H,23,28)(H,24,27)(H,29,30)/t12-,17-,18-/m0/s1
InChI Key:
MWUYSCVVPVITMW-IGNZVWTISA-N
SMILES:
Oc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc(cc1)O)N
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
415.174g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
415.446g/mol
Monoisotopic Mass:
415.174g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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