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

Systemtic Name: N-[(2S)-1-(cyclododecylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-2-(cyclododecylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-(cyclododecylamino)-2-keto-1-methylol-ethyl]-4-pyren-1-yl-butyramide Formula: C35H44N2O3 MolecularWeight: 540.73546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)NC(=O)C(CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1CCCCCC(CCCCC1)NC(=O)[C@H](CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C35H44N2O3/c38-24-31(35(40)36-29-15-8-6-4-2-1-3-5-7-9-16-29)37-32(39)17-11-12-25-18-19-28-21-20-26-13-10-14-27-22-23-30(25)34(28)33(26)27/h10,13-14,18-23,29,31,38H,1-9,11-12,15-17,24H2,(H,36,40)(H,37,39)/t31-/m0/s1