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

Systemtic Name: N-[(2S)-1-(cyclooctylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-2-(cyclooctylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-(cyclooctylamino)-2-keto-1-methylol-ethyl]-4-pyren-1-yl-butyramide Formula: C31H36N2O3 MolecularWeight: 484.62914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C(CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1CCCC(CCC1)NC(=O)[C@H](CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C31H36N2O3/c34-20-27(31(36)32-25-11-4-2-1-3-5-12-25)33-28(35)13-7-8-21-14-15-24-17-16-22-9-6-10-23-18-19-26(21)30(24)29(22)23/h6,9-10,14-19,25,27,34H,1-5,7-8,11-13,20H2,(H,32,36)(H,33,35)/t27-/m0/s1