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

Systemtic Name: N-[(2S)-1-(cyclopentylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-2-(cyclopentylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-1-(cyclopentylamino)-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-(cyclopentylamino)-2-keto-1-methylol-ethyl]-4-pyren-1-yl-butyramide Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1CCC(C1)NC(=O)[C@H](CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C28H30N2O3/c31-17-24(28(33)29-22-8-1-2-9-22)30-25(32)10-4-5-18-11-12-21-14-13-19-6-3-7-20-15-16-23(18)27(21)26(19)20/h3,6-7,11-16,22,24,31H,1-2,4-5,8-10,17H2,(H,29,33)(H,30,32)/t24-/m0/s1