6-[3-[(N'-tert-butyl-N-cyano-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hexanoic acid

Systemtic Name: 6-[3-[(N'-tert-butyl-N-cyano-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hexanoic acid Openeye Name: 6-[3-[(N'-tert-butyl-N-cyano-carbamimidoyl)amino]phenyl]-6-(3-pyridyl)hexanoic acid CAS Name: 6-[3-[[tert-butylimino-(cyanoamino)methyl]amino]phenyl]-6-(3-pyridinyl)hexanoic acid IUPAC Name: 6-[3-[(N'-tert-butyl-N-cyanocarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhexanoic acid Traditional Name: 6-[3-[(N'-tert-butyl-N-cyano-amidino)amino]phenyl]-6-(3-pyridyl)hexanoic acid Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(NC#N)NC1=CC=CC(=C1)C(CCCCC(=O)O)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)N=C(NC#N)NC1=CC=CC(=C1)C(CCCCC(=O)O)C2=CN=CC=C2

InChI

InChI=1S/C23H29N5O2/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)20(11-4-5-12-21(29)30)18-9-7-13-25-15-18/h6-10,13-15,20H,4-5,11-12H2,1-3H3,(H,29,30)(H2,26,27,28)