N-[(2S)-1-(cyclohexylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide

Systemtic Name: N-[(2S)-1-(cyclohexylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-2-(cyclohexylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-1-(cyclohexylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-1-(cyclohexylamino)-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-(cyclohexylamino)-2-keto-1-methylol-ethyl]-4-pyren-1-yl-butyramide Formula: C29H32N2O3 MolecularWeight: 456.57598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@H](CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C29H32N2O3/c32-18-25(29(34)30-23-9-2-1-3-10-23)31-26(33)11-5-6-19-12-13-22-15-14-20-7-4-8-21-16-17-24(19)28(22)27(20)21/h4,7-8,12-17,23,25,32H,1-3,5-6,9-11,18H2,(H,30,34)(H,31,33)/t25-/m0/s1