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83591-42-8 | L-Tyrosine, N-[3-(acetylthio)-2-methyl-1-oxopropyl]-
CAS No: 83591-42-8 Catalog No: AG0057EK MDL No:
Product Description
Catalog Number:
AG0057EK
Chemical Name:
L-Tyrosine, N-[3-(acetylthio)-2-methyl-1-oxopropyl]-
CAS Number:
83591-42-8
Molecular Formula:
C15H19NO5S
Molecular Weight:
325.3801
IUPAC Name:
(2S)-2-[(3-acetylsulfanyl-2-methylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C15H19NO5S/c1-9(8-22-10(2)17)14(19)16-13(15(20)21)7-11-3-5-12(18)6-4-11/h3-6,9,13,18H,7-8H2,1-2H3,(H,16,19)(H,20,21)/t9?,13-/m0/s1
InChI Key:
ZSDZCPMOBAOZJJ-NCWAPJAISA-N
SMILES:
CC(=O)SCC(C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)C
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
325.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
325.379g/mol
Monoisotopic Mass:
325.098g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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