N-[1-(1,3-benzothiazol-2-yl)-6-(methylamino)-1-oxidanylidene-hexan-2-yl]-1-ethanoyl-4-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)-6-(methylamino)-1-oxidanylidene-hexan-2-yl]-1-ethanoyl-4-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-[1-(1,3-benzothiazole-2-carbonyl)-5-(methylamino)pentyl]-4-hydroxy-pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-6-(methylamino)-1-oxohexan-2-yl]-4-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-[1-(1,3-benzothiazol-2-yl)-6-(methylamino)-1-oxohexan-2-yl]-4-hydroxypyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-[1-(1,3-benzothiazole-2-carbonyl)-5-(methylamino)pentyl]-4-hydroxy-pyrrolidine-2-carboxamide Formula: C21H28N4O4S MolecularWeight: 432.53642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NC(CCCCNC)C(=O)C2=NC3=CC=CC=C3S2)O

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NC(CCCCNC)C(=O)C2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C21H28N4O4S/c1-13(26)25-12-14(27)11-17(25)20(29)23-16(8-5-6-10-22-2)19(28)21-24-15-7-3-4-9-18(15)30-21/h3-4,7,9,14,16-17,22,27H,5-6,8,10-12H2,1-2H3,(H,23,29)