2-[[3-(4-carbamimidoylphenyl)-2-pyridin-3-yl-propanoyl]amino]hexanoic acid

Systemtic Name: 2-[[3-(4-carbamimidoylphenyl)-2-pyridin-3-yl-propanoyl]amino]hexanoic acid Openeye Name: 2-[[3-(4-carbamimidoylphenyl)-2-(3-pyridyl)propanoyl]amino]hexanoic acid CAS Name: 2-[[3-(4-carbamimidoylphenyl)-1-oxo-2-(3-pyridinyl)propyl]amino]hexanoic acid IUPAC Name: 2-[[3-(4-carbamimidoylphenyl)-2-pyridin-3-ylpropanoyl]amino]hexanoic acid Traditional Name: 2-[[3-(4-amidinophenyl)-2-(3-pyridyl)propanoyl]amino]hexanoic acid Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)C(=N)N)C2=CN=CC=C2

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)C(=N)N)C2=CN=CC=C2

InChI

InChI=1S/C21H26N4O3/c1-2-3-6-18(21(27)28)25-20(26)17(16-5-4-11-24-13-16)12-14-7-9-15(10-8-14)19(22)23/h4-5,7-11,13,17-18H,2-3,6,12H2,1H3,(H3,22,23)(H,25,26)(H,27,28)