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

Systemtic Name: N-[(2S)-1-[(3-iodanylphenyl)methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-[(3-iodophenyl)methylamino]-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-[(3-iodobenzyl)amino]-2-keto-1-methylol-ethyl]-4-pyren-1-yl-butyramide Formula: C30H27IN2O3 MolecularWeight: 590.45145

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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)NCC5=CC(=CC=C5)I

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)N[C@@H](CO)C(=O)NCC5=CC(=CC=C5)I

InChI

InChI=1S/C30H27IN2O3/c31-24-8-1-4-19(16-24)17-32-30(36)26(18-34)33-27(35)9-3-5-20-10-11-23-13-12-21-6-2-7-22-14-15-25(20)29(23)28(21)22/h1-2,4,6-8,10-16,26,34H,3,5,9,17-18H2,(H,32,36)(H,33,35)/t26-/m0/s1