3-(4-carbamimidoylphenyl)-2-methyl-2-(2-phenylpropanoylamino)hexanoic acid

Systemtic Name: 3-(4-carbamimidoylphenyl)-2-methyl-2-(2-phenylpropanoylamino)hexanoic acid Openeye Name: 3-(4-carbamimidoylphenyl)-2-methyl-2-(2-phenylpropanoylamino)hexanoic acid CAS Name: 3-(4-carbamimidoylphenyl)-2-methyl-2-[(1-oxo-2-phenylpropyl)amino]hexanoic acid IUPAC Name: 3-(4-carbamimidoylphenyl)-2-methyl-2-(2-phenylpropanoylamino)hexanoic acid Traditional Name: 3-(4-amidinophenyl)-2-(hydratropoylamino)-2-methyl-hexanoic acid Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C(=N)N)C(C)(C(=O)O)NC(=O)C(C)C2=CC=CC=C2

Isomeric SMILES

CCCC(C1=CC=C(C=C1)C(=N)N)C(C)(C(=O)O)NC(=O)C(C)C2=CC=CC=C2

InChI

InChI=1S/C23H29N3O3/c1-4-8-19(17-11-13-18(14-12-17)20(24)25)23(3,22(28)29)26-21(27)15(2)16-9-6-5-7-10-16/h5-7,9-15,19H,4,8H2,1-3H3,(H3,24,25)(H,26,27)(H,28,29)