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141894-77-1

141894-77-1 | L-Cysteine, N-acetyl-S-[1-(3-ethenylphenyl)-2-hydroxyethyl]-

CAS No: 141894-77-1 Catalog No: AG001HCC MDL No:

Product Description

Catalog Number:
AG001HCC
Chemical Name:
L-Cysteine, N-acetyl-S-[1-(3-ethenylphenyl)-2-hydroxyethyl]-
CAS Number:
141894-77-1
Molecular Formula:
C15H19NO4S
Molecular Weight:
309.3807
IUPAC Name:
(2R)-2-acetamido-3-[1-(3-ethenylphenyl)-2-hydroxyethyl]sulfanylpropanoic acid
InChI:
InChI=1S/C15H19NO4S/c1-3-11-5-4-6-12(7-11)14(8-17)21-9-13(15(19)20)16-10(2)18/h3-7,13-14,17H,1,8-9H2,2H3,(H,16,18)(H,19,20)/t13-,14?/m0/s1
InChI Key:
LRUJIDZLVHXZGJ-LSLKUGRBSA-N
SMILES:
OCC(c1cccc(c1)C=C)SC[C@@H](C(=O)O)NC(=O)C

Properties

Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
309.103g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
309.38g/mol
Monoisotopic Mass:
309.103g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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