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102582-51-4 | Glycine, N-L-phenylalanyl-2-(phenylthio)-, (S)- (9CI)
CAS No: 102582-51-4 Catalog No: AG0007TZ MDL No:
Product Description
Catalog Number:
AG0007TZ
Chemical Name:
Glycine, N-L-phenylalanyl-2-(phenylthio)-, (S)- (9CI)
CAS Number:
102582-51-4
Molecular Formula:
C17H18N2O3S
Molecular Weight:
330.4014
IUPAC Name:
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(2H-thiopyran-3-yl)propanoic acid
InChI:
InChI=1S/C17H20N2O3S/c18-14(9-12-5-2-1-3-6-12)16(20)19-15(17(21)22)10-13-7-4-8-23-11-13/h1-8,14-15H,9-11,18H2,(H,19,20)(H,21,22)/t14-,15-/m0/s1
InChI Key:
XIWSWUGXOUZCKQ-GJZGRUSLSA-N
SMILES:
N[C@H](C(=O)N[C@H](C(=O)O)Sc1ccccc1)Cc1ccccc1
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
332.119g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
332.418g/mol
Monoisotopic Mass:
332.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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