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

Systemtic Name: 1-[(2R)-1-oxidanyl-4-[6-(4-phenylbutanoylamino)indol-1-yl]butan-2-yl]imidazole-4-carboxamide Openeye Name: 1-[(1R)-1-(hydroxymethyl)-3-[6-(4-phenylbutanoylamino)indol-1-yl]propyl]imidazole-4-carboxamide CAS Name: 1-[(2R)-1-hydroxy-4-[6-[(1-oxo-4-phenylbutyl)amino]-1-indolyl]butan-2-yl]-4-imidazolecarboxamide IUPAC Name: 1-[(2R)-1-hydroxy-4-[6-(4-phenylbutanoylamino)indol-1-yl]butan-2-yl]imidazole-4-carboxamide Traditional Name: 1-[(1R)-1-methylol-3-[6-(4-phenylbutanoylamino)indol-1-yl]propyl]imidazole-4-carboxamide Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O3/c27-26(34)23-16-31(18-28-23)22(17-32)12-14-30-13-11-20-9-10-21(15-24(20)30)29-25(33)8-4-7-19-5-2-1-3-6-19/h1-3,5-6,9-11,13,15-16,18,22,32H,4,7-8,12,14,17H2,(H2,27,34)(H,29,33)/t22-/m1/s1