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2-azanyl-3-ethylsulfonyl-2-[2-methyl-3-(3-methylphenyl)propanoyl]hexanoic acid

2-azanyl-3-ethylsulfonyl-2-[2-methyl-3-(3-methylphenyl)propanoyl]hexanoic acid

Systemtic Name:2-azanyl-3-ethylsulfonyl-2-[2-methyl-3-(3-methylphenyl)propanoyl]hexanoic acid
Openeye Name:2-amino-3-ethylsulfonyl-2-[2-methyl-3-(m-tolyl)propanoyl]hexanoic acid
CAS Name:2-amino-3-ethylsulfonyl-2-[2-methyl-3-(3-methylphenyl)-1-oxopropyl]hexanoic acid
IUPAC Name:2-amino-3-ethylsulfonyl-2-[2-methyl-3-(3-methylphenyl)propanoyl]hexanoic acid
Traditional Name:2-amino-3-esyl-2-[2-methyl-3-(m-tolyl)propanoyl]hexanoic acid
Formula: C19H29NO5S
MolecularWeight: 383.50226
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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)C(C)CC1=CC=CC(=C1)C)(C(=O)O)N)S(=O)(=O)CC


Isomeric SMILES

CCCC(C(C(=O)C(C)CC1=CC=CC(=C1)C)(C(=O)O)N)S(=O)(=O)CC


InChI

InChI=1S/C19H29NO5S/c1-5-8-16(26(24,25)6-2)19(20,18(22)23)17(21)14(4)12-15-10-7-9-13(3)11-15/h7,9-11,14,16H,5-6,8,12,20H2,1-4H3,(H,22,23)


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