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

Systemtic Name: N-[(2S)-1-(morpholin-4-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(morpholinoamino)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-(4-morpholinylamino)-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-3-hydroxy-1-(morpholin-4-ylamino)-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(morpholinoamino)ethyl]-4-pyren-1-yl-butyramide Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1NC(=O)C(CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1COCCN1NC(=O)[C@H](CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C27H29N3O4/c31-17-23(27(33)29-30-13-15-34-16-14-30)28-24(32)6-2-3-18-7-8-21-10-9-19-4-1-5-20-11-12-22(18)26(21)25(19)20/h1,4-5,7-12,23,31H,2-3,6,13-17H2,(H,28,32)(H,29,33)/t23-/m0/s1