N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide

Systemtic Name: N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-2-(4,5-dihydrothiazol-2-ylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-1-(4,5-dihydrothiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(2-thiazolin-2-ylamino)ethyl]-4-pyren-1-yl-butyramide Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)NC(=O)C(CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

Isomeric SMILES

C1CSC(=N1)NC(=O)[C@H](CO)NC(=O)CCCC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2

InChI

InChI=1S/C26H25N3O3S/c30-15-21(25(32)29-26-27-13-14-33-26)28-22(31)6-2-3-16-7-8-19-10-9-17-4-1-5-18-11-12-20(16)24(19)23(17)18/h1,4-5,7-12,21,30H,2-3,6,13-15H2,(H,28,31)(H,27,29,32)/t21-/m0/s1