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2-(2-methylpropyl)-3-[(methylsulfonylmethylamino)methyl]butanedioic acid

2-(2-methylpropyl)-3-[(methylsulfonylmethylamino)methyl]butanedioic acid

Systemtic Name:2-(2-methylpropyl)-3-[(methylsulfonylmethylamino)methyl]butanedioic acid
Openeye Name:2-isobutyl-3-[(methylsulfonylmethylamino)methyl]butanedioic acid
CAS Name:2-(2-methylpropyl)-3-[(methylsulfonylmethylamino)methyl]butanedioic acid
IUPAC Name:2-(2-methylpropyl)-3-[(methylsulfonylmethylamino)methyl]butanedioic acid
Traditional Name:2-isobutyl-3-[(mesylmethylamino)methyl]succinic acid
Formula: C11H21NO6S
MolecularWeight: 295.35254
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CNCS(=O)(=O)C)C(=O)O)C(=O)O


Isomeric SMILES

CC(C)CC(C(CNCS(=O)(=O)C)C(=O)O)C(=O)O


InChI

InChI=1S/C11H21NO6S/c1-7(2)4-8(10(13)14)9(11(15)16)5-12-6-19(3,17)18/h7-9,12H,4-6H2,1-3H3,(H,13,14)(H,15,16)


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