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

Systemtic Name: N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-4-pyren-1-yl-butanamide Openeye Name: N-[(1S)-2-(1H-benzimidazol-2-ylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-4-pyren-1-yl-butanamide CAS Name: N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-(1-pyrenyl)butanamide IUPAC Name: N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-pyren-1-ylbutanamide Traditional Name: N-[(1S)-2-(1H-benzimidazol-2-ylamino)-2-keto-1-methylol-ethyl]-4-pyren-1-yl-butyramide Formula: C30H26N4O3 MolecularWeight: 490.55244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)NC(=O)C(CO)NC(=O)CCCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)NC(=O)[C@H](CO)NC(=O)CCCC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3

InChI

InChI=1S/C30H26N4O3/c35-17-25(29(37)34-30-32-23-8-1-2-9-24(23)33-30)31-26(36)10-4-5-18-11-12-21-14-13-19-6-3-7-20-15-16-22(18)28(21)27(19)20/h1-3,6-9,11-16,25,35H,4-5,10,17H2,(H,31,36)(H2,32,33,34,37)/t25-/m0/s1