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

Systemtic Name: N-[(2S)-3-oxidanyl-1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-2-(benzylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-[(phenylmethyl)amino]propan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-(benzylamino)-2-keto-1-methylol-ethyl]-4-pyren-1-yl-butyramide Formula: C30H28N2O3 MolecularWeight: 464.55492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)[C@H](CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C30H28N2O3/c33-19-26(30(35)31-18-20-6-2-1-3-7-20)32-27(34)11-5-8-21-12-13-24-15-14-22-9-4-10-23-16-17-25(21)29(24)28(22)23/h1-4,6-7,9-10,12-17,26,33H,5,8,11,18-19H2,(H,31,35)(H,32,34)/t26-/m0/s1