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123751-54-2 | L-Cysteine, N-acetyl-S-(2-oxoethyl)-, methyl ester
CAS No: 123751-54-2 Catalog No: AG000L0S MDL No:
Product Description
Catalog Number:
AG000L0S
Chemical Name:
L-Cysteine, N-acetyl-S-(2-oxoethyl)-, methyl ester
CAS Number:
123751-54-2
Molecular Formula:
C8H13NO4S
Molecular Weight:
219.2581
IUPAC Name:
methyl 2-acetamido-3-acetylsulfanylpropanoate
InChI:
InChI=1S/C8H13NO4S/c1-5(10)9-7(8(12)13-3)4-14-6(2)11/h7H,4H2,1-3H3,(H,9,10)
InChI Key:
AIDHMQPGKCFCHV-UHFFFAOYSA-N
SMILES:
O=CCSC[C@@H](C(=O)OC)NC(=O)C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.255g/mol
Monoisotopic Mass:
219.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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