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88660-32-6 | L-Alanine, N-[2-(mercaptomethyl)-4-methyl-1-oxopentyl]-
CAS No: 88660-32-6 Catalog No: AG0047V6 MDL No:
Product Description
Catalog Number:
AG0047V6
Chemical Name:
L-Alanine, N-[2-(mercaptomethyl)-4-methyl-1-oxopentyl]-
CAS Number:
88660-32-6
Molecular Formula:
C10H19NO3S
Molecular Weight:
233.3278
IUPAC Name:
2-[[4-methyl-2-(sulfanylmethyl)pentanoyl]amino]propanoic acid
InChI:
InChI=1S/C10H19NO3S/c1-6(2)4-8(5-15)9(12)11-7(3)10(13)14/h6-8,15H,4-5H2,1-3H3,(H,11,12)(H,13,14)
InChI Key:
CSCPSCPRRKPVQY-UHFFFAOYSA-N
SMILES:
SCC(C(=O)N[C@H](C(=O)O)C)CC(C)C
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.109g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
233.326g/mol
Monoisotopic Mass:
233.109g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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