6-[3-[(N-cyano-N'-propan-2-yl-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hexanoic acid

Systemtic Name: 6-[3-[(N-cyano-N'-propan-2-yl-carbamimidoyl)amino]phenyl]-6-pyridin-3-yl-hexanoic acid Openeye Name: 6-[3-[(N-cyano-N'-isopropyl-carbamimidoyl)amino]phenyl]-6-(3-pyridyl)hexanoic acid CAS Name: 6-[3-[[(cyanoamino)-propan-2-yliminomethyl]amino]phenyl]-6-(3-pyridinyl)hexanoic acid IUPAC Name: 6-[3-[(N-cyano-N'-propan-2-ylcarbamimidoyl)amino]phenyl]-6-pyridin-3-ylhexanoic acid Traditional Name: 6-[3-[(N-cyano-N'-isopropyl-amidino)amino]phenyl]-6-(3-pyridyl)hexanoic acid Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O2/c1-16(2)26-22(25-15-23)27-19-9-5-7-17(13-19)20(10-3-4-11-21(28)29)18-8-6-12-24-14-18/h5-9,12-14,16,20H,3-4,10-11H2,1-2H3,(H,28,29)(H2,25,26,27)