1-[(2R)-1-oxidanyl-4-[6-(6-phenylhexanoylamino)indol-1-yl]butan-2-yl]imidazole-4-carboxamide

Systemtic Name: 1-[(2R)-1-oxidanyl-4-[6-(6-phenylhexanoylamino)indol-1-yl]butan-2-yl]imidazole-4-carboxamide Openeye Name: 1-[(1R)-1-(hydroxymethyl)-3-[6-(6-phenylhexanoylamino)indol-1-yl]propyl]imidazole-4-carboxamide CAS Name: 1-[(2R)-1-hydroxy-4-[6-[(1-oxo-6-phenylhexyl)amino]-1-indolyl]butan-2-yl]-4-imidazolecarboxamide IUPAC Name: 1-[(2R)-1-hydroxy-4-[6-(6-phenylhexanoylamino)indol-1-yl]butan-2-yl]imidazole-4-carboxamide Traditional Name: 1-[(1R)-1-methylol-3-[6-(6-phenylhexanoylamino)indol-1-yl]propyl]imidazole-4-carboxamide Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCC(=O)NC2=CC3=C(C=C2)C=CN3CCC(CO)N4C=C(N=C4)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CCCCCC(=O)NC2=CC3=C(C=C2)C=CN3CC[C@H](CO)N4C=C(N=C4)C(=O)N

InChI

InChI=1S/C28H33N5O3/c29-28(36)25-18-33(20-30-25)24(19-34)14-16-32-15-13-22-11-12-23(17-26(22)32)31-27(35)10-6-2-5-9-21-7-3-1-4-8-21/h1,3-4,7-8,11-13,15,17-18,20,24,34H,2,5-6,9-10,14,16,19H2,(H2,29,36)(H,31,35)/t24-/m1/s1