(2S,4R)-N-[5-azanyl-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-4-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-N-[5-azanyl-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-pentan-2-yl]-1-ethanoyl-4-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-1-acetyl-N-[4-amino-1-(1,3-benzothiazole-2-carbonyl)butyl]-4-hydroxy-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-1-acetyl-N-[5-amino-1-(1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-4-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-1-acetyl-N-[5-amino-1-(1,3-benzothiazol-2-yl)-1-oxopentan-2-yl]-4-hydroxypyrrolidine-2-carboxamide Traditional Name: (2S,4R)-1-acetyl-N-[4-amino-1-(1,3-benzothiazole-2-carbonyl)butyl]-4-hydroxy-pyrrolidine-2-carboxamide Formula: C19H24N4O4S MolecularWeight: 404.48326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N1C[C@@H](C[C@H]1C(=O)NC(CCCN)C(=O)C2=NC3=CC=CC=C3S2)O

InChI

InChI=1S/C19H24N4O4S/c1-11(24)23-10-12(25)9-15(23)18(27)21-14(6-4-8-20)17(26)19-22-13-5-2-3-7-16(13)28-19/h2-3,5,7,12,14-15,25H,4,6,8-10,20H2,1H3,(H,21,27)/t12-,14?,15+/m1/s1