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

Systemtic Name: N-[(2S)-1-(1,2-oxazol-3-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(isoxazol-3-ylamino)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-3-hydroxy-1-(3-isoxazolylamino)-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-3-hydroxy-1-(1,2-oxazol-3-ylamino)-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-(isoxazol-3-ylamino)-2-keto-1-methylol-ethyl]-4-pyren-1-yl-butyramide Formula: C26H23N3O4 MolecularWeight: 441.47852

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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=NOC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O4/c30-15-21(26(32)28-22-13-14-33-29-22)27-23(31)6-2-3-16-7-8-19-10-9-17-4-1-5-18-11-12-20(16)25(19)24(17)18/h1,4-5,7-14,21,30H,2-3,6,15H2,(H,27,31)(H,28,29,32)/t21-/m0/s1