1-[(2S)-1-oxidanyl-4-[6-(3-pyridin-3-ylpropanoylamino)indol-1-yl]butan-2-yl]imidazole-4-carboxamide

Systemtic Name: 1-[(2S)-1-oxidanyl-4-[6-(3-pyridin-3-ylpropanoylamino)indol-1-yl]butan-2-yl]imidazole-4-carboxamide Openeye Name: 1-[(1S)-1-(hydroxymethyl)-3-[6-[3-(3-pyridyl)propanoylamino]indol-1-yl]propyl]imidazole-4-carboxamide CAS Name: 1-[(2S)-1-hydroxy-4-[6-[[1-oxo-3-(3-pyridinyl)propyl]amino]-1-indolyl]butan-2-yl]-4-imidazolecarboxamide IUPAC Name: 1-[(2S)-1-hydroxy-4-[6-(3-pyridin-3-ylpropanoylamino)indol-1-yl]butan-2-yl]imidazole-4-carboxamide Traditional Name: 1-[(1S)-1-methylol-3-[6-[3-(3-pyridyl)propanoylamino]indol-1-yl]propyl]imidazole-4-carboxamide Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O3/c25-24(33)21-14-30(16-27-21)20(15-31)8-11-29-10-7-18-4-5-19(12-22(18)29)28-23(32)6-3-17-2-1-9-26-13-17/h1-2,4-5,7,9-10,12-14,16,20,31H,3,6,8,11,15H2,(H2,25,33)(H,28,32)/t20-/m0/s1