3-[[6-azanyl-2-(phenylsulfonylamino)hexanoyl]amino]-2-methyl-propanoic acid

Systemtic Name: 3-[[6-azanyl-2-(phenylsulfonylamino)hexanoyl]amino]-2-methyl-propanoic acid Openeye Name: 3-[[6-amino-2-(benzenesulfonamido)hexanoyl]amino]-2-methyl-propanoic acid CAS Name: 3-[[6-amino-2-(benzenesulfonamido)-1-oxohexyl]amino]-2-methylpropanoic acid IUPAC Name: 3-[[6-amino-2-(benzenesulfonamido)hexanoyl]amino]-2-methylpropanoic acid Traditional Name: 3-[[6-amino-2-(benzenesulfonamido)hexanoyl]amino]-2-methyl-propionic acid Formula: C16H25N3O5S MolecularWeight: 371.4518

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C(CCCCN)NS(=O)(=O)C1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(CNC(=O)C(CCCCN)NS(=O)(=O)C1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C16H25N3O5S/c1-12(16(21)22)11-18-15(20)14(9-5-6-10-17)19-25(23,24)13-7-3-2-4-8-13/h2-4,7-8,12,14,19H,5-6,9-11,17H2,1H3,(H,18,20)(H,21,22)