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119933-71-0 | L-Phenylalanine, N-(3-hydroxy-α-methyl-L-tyrosyl)- (9CI)
CAS No: 119933-71-0 Catalog No: AG000PVA MDL No:
Product Description
Catalog Number:
AG000PVA
Chemical Name:
L-Phenylalanine, N-(3-hydroxy-α-methyl-L-tyrosyl)- (9CI)
CAS Number:
119933-71-0
Molecular Formula:
C19H22N2O5
Molecular Weight:
358.3884
IUPAC Name:
(2S)-2-[[(2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoyl]amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C19H22N2O5/c1-19(20,11-13-7-8-15(22)16(23)10-13)18(26)21-14(17(24)25)9-12-5-3-2-4-6-12/h2-8,10,14,22-23H,9,11,20H2,1H3,(H,21,26)(H,24,25)/t14-,19-/m0/s1
InChI Key:
BOIYMVUPSRYBCA-LIRRHRJNSA-N
SMILES:
OC(=O)[C@@H](NC(=O)[C@](Cc1ccc(c(c1)O)O)(N)C)Cc1ccccc1
UNII:
W211Q95X01
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
358.153g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
358.394g/mol
Monoisotopic Mass:
358.153g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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