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

Systemtic Name: N-[(2S)-1-(2-morpholin-4-ylethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(2-morpholinoethylamino)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-[2-(4-morpholinyl)ethylamino]-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-3-hydroxy-1-(2-morpholin-4-ylethylamino)-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(2-morpholinoethylamino)ethyl]-4-pyren-1-yl-butyramide Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)C(CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1COCCN1CCNC(=O)[C@H](CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C29H33N3O4/c33-19-25(29(35)30-13-14-32-15-17-36-18-16-32)31-26(34)6-2-3-20-7-8-23-10-9-21-4-1-5-22-11-12-24(20)28(23)27(21)22/h1,4-5,7-12,25,33H,2-3,6,13-19H2,(H,30,35)(H,31,34)/t25-/m0/s1