N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(quinolin-6-ylamino)propan-2-yl]-4-pyren-1-yl-butanamide

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(quinolin-6-ylamino)propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(6-quinolylamino)ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-(6-quinolinylamino)propan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(6-quinolylamino)ethyl]-4-pyren-1-yl-butyramide Formula: C32H27N3O3 MolecularWeight: 501.57508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)NC(CO)C(=O)NC5=CC6=C(C=C5)N=CC=C6

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)N[C@@H](CO)C(=O)NC5=CC6=C(C=C5)N=CC=C6

InChI

InChI=1S/C32H27N3O3/c36-19-28(32(38)34-25-14-16-27-24(18-25)7-3-17-33-27)35-29(37)8-2-4-20-9-10-23-12-11-21-5-1-6-22-13-15-26(20)31(23)30(21)22/h1,3,5-7,9-18,28,36H,2,4,8,19H2,(H,34,38)(H,35,37)/t28-/m0/s1