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74032-83-0 | N-ACETYL-S-(1-PHENYL-3-HYDROXYPROPYL)CYSTEINE
CAS No: 74032-83-0 Catalog No: AG005I7K MDL No:
Product Description
Catalog Number:
AG005I7K
Chemical Name:
N-ACETYL-S-(1-PHENYL-3-HYDROXYPROPYL)CYSTEINE
CAS Number:
74032-83-0
Molecular Formula:
C14H19NO4S
Molecular Weight:
297.3700
IUPAC Name:
(2R)-2-acetamido-3-(3-hydroxy-1-phenylpropyl)sulfanylpropanoic acid
InChI:
InChI=1S/C14H19NO4S/c1-10(17)15-12(14(18)19)9-20-13(7-8-16)11-5-3-2-4-6-11/h2-6,12-13,16H,7-9H2,1H3,(H,15,17)(H,18,19)/t12-,13?/m0/s1
InChI Key:
BSEMPLYQNRLSOH-UEWDXFNNSA-N
SMILES:
OCCC(c1ccccc1)SC[C@@H](C(=O)O)NC(=O)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
297.103g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
297.369g/mol
Monoisotopic Mass:
297.103g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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