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6852-42-2 | S-(2-Carboxypropyl)-L-cysteine
CAS No: 6852-42-2 Catalog No: AG0033K6 MDL No:
Product Description
Catalog Number:
AG0033K6
Chemical Name:
S-(2-Carboxypropyl)-L-cysteine
CAS Number:
6852-42-2
Molecular Formula:
C7H13NO4S
Molecular Weight:
207.2474
IUPAC Name:
3-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-methylpropanoic acid
InChI:
InChI=1S/C7H13NO4S/c1-4(6(9)10)2-13-3-5(8)7(11)12/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)/t4?,5-/m0/s1
InChI Key:
QSPWUNSFUXUUDG-AKGZTFGVSA-N
SMILES:
OC(=O)C(CSC[C@@H](C(=O)O)N)C
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
207.057g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
207.244g/mol
Monoisotopic Mass:
207.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
Literature
| Title | Journal |
|---|---|
| ECHS1 mutations in Leigh disease: a new inborn error of metabolism affecting valine metabolism. | Brain : a journal of neurology 20141101 |
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