N-[(2S)-1-(3-bicyclo[2.2.1]heptanylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide

Systemtic Name: N-[(2S)-1-(3-bicyclo[2.2.1]heptanylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(norbornan-2-ylamino)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-1-(3-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-1-(3-bicyclo[2.2.1]heptanylamino)-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(2-norbornylamino)ethyl]-4-pyren-1-yl-butyramide Formula: C30H32N2O3 MolecularWeight: 468.58668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1CC2NC(=O)C(CO)NC(=O)CCCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

C1CC2CC1CC2NC(=O)[C@H](CO)NC(=O)CCCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C30H32N2O3/c33-17-26(30(35)32-25-16-18-7-8-23(25)15-18)31-27(34)6-2-3-19-9-10-22-12-11-20-4-1-5-21-13-14-24(19)29(22)28(20)21/h1,4-5,9-14,18,23,25-26,33H,2-3,6-8,15-17H2,(H,31,34)(H,32,35)/t18?,23?,25?,26-/m0/s1