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130999-94-9 | D-Cysteine, N-(2-mercapto-2-methyl-1-oxopropyl)-
CAS No: 130999-94-9 Catalog No: AG000VA4 MDL No:
Product Description
Catalog Number:
AG000VA4
Chemical Name:
D-Cysteine, N-(2-mercapto-2-methyl-1-oxopropyl)-
CAS Number:
130999-94-9
Molecular Formula:
C7H13NO3S2
Molecular Weight:
223.3130
IUPAC Name:
(2S)-2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid
InChI:
InChI=1S/C7H13NO3S2/c1-7(2,13)6(11)8-4(3-12)5(9)10/h4,12-13H,3H2,1-2H3,(H,8,11)(H,9,10)/t4-/m1/s1
InChI Key:
VUAFHZCUKUDDBC-SCSAIBSYSA-N
SMILES:
SC[C@H](C(=O)O)NC(=O)C(S)(C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
223.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
223.305g/mol
Monoisotopic Mass:
223.034g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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