2-azanyl-3-cyclopentylsulfonyl-2-(2-methyl-3-phenyl-propanoyl)hexanoic acid

Systemtic Name: 2-azanyl-3-cyclopentylsulfonyl-2-(2-methyl-3-phenyl-propanoyl)hexanoic acid Openeye Name: 2-amino-3-cyclopentylsulfonyl-2-(2-methyl-3-phenyl-propanoyl)hexanoic acid CAS Name: 2-amino-3-cyclopentylsulfonyl-2-(2-methyl-1-oxo-3-phenylpropyl)hexanoic acid IUPAC Name: 2-amino-3-cyclopentylsulfonyl-2-(2-methyl-3-phenylpropanoyl)hexanoic acid Traditional Name: 2-amino-3-cyclopentylsulfonyl-2-(2-methyl-3-phenyl-propanoyl)hexanoic acid Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C(=O)C(C)CC1=CC=CC=C1)(C(=O)O)N)S(=O)(=O)C2CCCC2

Isomeric SMILES

CCCC(C(C(=O)C(C)CC1=CC=CC=C1)(C(=O)O)N)S(=O)(=O)C2CCCC2

InChI

InChI=1S/C21H31NO5S/c1-3-9-18(28(26,27)17-12-7-8-13-17)21(22,20(24)25)19(23)15(2)14-16-10-5-4-6-11-16/h4-6,10-11,15,17-18H,3,7-9,12-14,22H2,1-2H3,(H,24,25)