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88728-47-6 | L-Phenylalanine, N-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]-, (R)-
CAS No: 88728-47-6 Catalog No: AG0045MB MDL No:
Product Description
Catalog Number:
AG0045MB
Chemical Name:
L-Phenylalanine, N-[2-(mercaptomethyl)-1-oxo-3-phenylpropyl]-, (R)-
CAS Number:
88728-47-6
Molecular Formula:
C19H21NO3S
Molecular Weight:
343.4399
IUPAC Name:
2-[(2-benzyl-3-sulfanylpropanoyl)amino]-3-phenylpropanoic acid
InChI:
InChI=1S/C19H21NO3S/c21-18(16(13-24)11-14-7-3-1-4-8-14)20-17(19(22)23)12-15-9-5-2-6-10-15/h1-10,16-17,24H,11-13H2,(H,20,21)(H,22,23)
InChI Key:
DBQKVSDKOHUTFP-UHFFFAOYSA-N
SMILES:
SCC(C(=O)N[C@@H](C(=O)O)Cc1ccccc1)Cc1ccccc1
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.124g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
343.441g/mol
Monoisotopic Mass:
343.124g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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