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124818-17-3 | L-Phenylalanine, N-(3-mercapto-2-methyl-1-oxopropyl)-, (S)- (9CI)
CAS No: 124818-17-3 Catalog No: AG000MRG MDL No:
Product Description
Catalog Number:
AG000MRG
Chemical Name:
L-Phenylalanine, N-(3-mercapto-2-methyl-1-oxopropyl)-, (S)- (9CI)
CAS Number:
124818-17-3
Molecular Formula:
C13H17NO3S
Molecular Weight:
267.3440
IUPAC Name:
2-[(2-methyl-3-sulfanylpropanoyl)amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C13H17NO3S/c1-9(8-18)12(15)14-11(13(16)17)7-10-5-3-2-4-6-10/h2-6,9,11,18H,7-8H2,1H3,(H,14,15)(H,16,17)
InChI Key:
OPMKDRSDZVVHLO-UHFFFAOYSA-N
SMILES:
SCC(C(=O)N[C@H](C(=O)O)Cc1ccccc1)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
267.343g/mol
Monoisotopic Mass:
267.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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