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854032-63-6 | L-Alanine, 3-[(1,1-dimethylethyl)dithio]-N-[(2-propenyloxy)carbonyl]-
CAS No: 854032-63-6 Catalog No: AG004OFL MDL No:
Product Description
Catalog Number:
AG004OFL
Chemical Name:
L-Alanine, 3-[(1,1-dimethylethyl)dithio]-N-[(2-propenyloxy)carbonyl]-
CAS Number:
854032-63-6
Molecular Formula:
C11H19NO4S2
Molecular Weight:
293.4029
IUPAC Name:
(2R)-3-(tert-butyldisulfanyl)-2-(prop-2-enoxycarbonylamino)propanoic acid
InChI:
InChI=1S/C11H19NO4S2/c1-5-6-16-10(15)12-8(9(13)14)7-17-18-11(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)/t8-/m0/s1
InChI Key:
GEOPTYVAESKBRQ-QMMMGPOBSA-N
SMILES:
C=CCOC(=O)N[C@H](C(=O)O)CSSC(C)(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
293.076g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.396g/mol
Monoisotopic Mass:
293.076g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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