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73942-36-6 | L-Tyrosine,N-(N-acetyl-D-phenylalanyl)- (9CI)
CAS No: 73942-36-6 Catalog No: AG005IVB MDL No:
Product Description
Catalog Number:
AG005IVB
Chemical Name:
L-Tyrosine,N-(N-acetyl-D-phenylalanyl)- (9CI)
CAS Number:
73942-36-6
Molecular Formula:
C20H24N2O6
Molecular Weight:
388.4144
IUPAC Name:
(2S)-2-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C20H22N2O5/c1-13(23)21-17(11-14-5-3-2-4-6-14)19(25)22-18(20(26)27)12-15-7-9-16(24)10-8-15/h2-10,17-18,24H,11-12H2,1H3,(H,21,23)(H,22,25)(H,26,27)/t17-,18+/m1/s1
InChI Key:
AGHAPAFOMGHXMT-MSOLQXFVSA-N
SMILES:
Oc1ccc(cc1)C[C@@H](C(=O)O)N.CC(=O)N[C@@H](C(=O)O)Cc1ccccc1
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
370.153g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
370.405g/mol
Monoisotopic Mass:
370.153g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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