N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(morpholin-4-ylmethyl)-5-oxidanyl-benzamide

Systemtic Name: N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3-(morpholin-4-ylmethyl)-5-oxidanyl-benzamide Openeye Name: N-[(1S)-2-(1H-benzimidazol-2-ylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-3-hydroxy-5-(morpholinomethyl)benzamide CAS Name: N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(4-morpholinylmethyl)benzamide IUPAC Name: N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-3-hydroxy-5-(morpholin-4-ylmethyl)benzamide Traditional Name: N-[(1S)-2-(1H-benzimidazol-2-ylamino)-2-keto-1-methylol-ethyl]-3-hydroxy-5-(morpholinomethyl)benzamide Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC(=CC(=C2)C(=O)NC(CO)C(=O)NC3=NC4=CC=CC=C4N3)O

Isomeric SMILES

C1COCCN1CC2=CC(=CC(=C2)C(=O)N[C@@H](CO)C(=O)NC3=NC4=CC=CC=C4N3)O

InChI

InChI=1S/C22H25N5O5/c28-13-19(21(31)26-22-24-17-3-1-2-4-18(17)25-22)23-20(30)15-9-14(10-16(29)11-15)12-27-5-7-32-8-6-27/h1-4,9-11,19,28-29H,5-8,12-13H2,(H,23,30)(H2,24,25,26,31)/t19-/m0/s1