2-[carboxy-[2-[2-(phenylsulfonylamino)phenyl]ethyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[carboxy-[2-[2-(phenylsulfonylamino)phenyl]ethyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[2-[2-(benzenesulfonamido)phenyl]ethyl-carboxy-amino]-4-methyl-pentanoic acid CAS Name: 2-[2-[2-(benzenesulfonamido)phenyl]ethyl-carboxyamino]-4-methylpentanoic acid IUPAC Name: 2-[2-[2-(benzenesulfonamido)phenyl]ethyl-carboxyamino]-4-methylpentanoic acid Traditional Name: 2-[2-[2-(benzenesulfonamido)phenyl]ethyl-carboxy-amino]-4-methyl-valeric acid Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCC1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCC1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C21H26N2O6S/c1-15(2)14-19(20(24)25)23(21(26)27)13-12-16-8-6-7-11-18(16)22-30(28,29)17-9-4-3-5-10-17/h3-11,15,19,22H,12-14H2,1-2H3,(H,24,25)(H,26,27)