N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenyl-ethyl]-1H-indole-6-carboxamide

Systemtic Name: N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenyl-ethyl]-1H-indole-6-carboxamide Openeye Name: N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenyl-ethyl]-1H-indole-6-carboxamide CAS Name: N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-indole-6-carboxamide IUPAC Name: N-[(1S)-1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-indole-6-carboxamide Traditional Name: N-[(1S)-1-[5-(4-amidinophenyl)-1H-imidazol-2-yl]-2-phenyl-ethyl]-1H-indole-6-carboxamide Formula: C27H24N6O MolecularWeight: 448.51906

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)NC(=O)C4=CC5=C(C=C4)C=CN5

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C2=NC=C(N2)C3=CC=C(C=C3)C(=N)N)NC(=O)C4=CC5=C(C=C4)C=CN5

InChI

InChI=1S/C27H24N6O/c28-25(29)20-9-6-18(7-10-20)24-16-31-26(32-24)23(14-17-4-2-1-3-5-17)33-27(34)21-11-8-19-12-13-30-22(19)15-21/h1-13,15-16,23,30H,14H2,(H3,28,29)(H,31,32)(H,33,34)/t23-/m0/s1