N-[5-(1-azanylethylideneamino)-1-(1,3-benzothiazol-2-yl)-1-oxidanyl-pentan-2-yl]-1-ethanoyl-4-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[5-(1-azanylethylideneamino)-1-(1,3-benzothiazol-2-yl)-1-oxidanyl-pentan-2-yl]-1-ethanoyl-4-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-[4-(1-aminoethylideneamino)-1-[1,3-benzothiazol-2-yl(hydroxy)methyl]butyl]-4-hydroxy-pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-[5-(1-aminoethylideneamino)-1-(1,3-benzothiazol-2-yl)-1-hydroxypentan-2-yl]-4-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-[5-(1-aminoethylideneamino)-1-(1,3-benzothiazol-2-yl)-1-hydroxypentan-2-yl]-4-hydroxypyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-[4-(1-aminoethylideneamino)-1-[1,3-benzothiazol-2-yl(hydroxy)methyl]butyl]-4-hydroxy-pyrrolidine-2-carboxamide Formula: C21H29N5O4S MolecularWeight: 447.55106

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCCC(C(C1=NC2=CC=CC=C2S1)O)NC(=O)C3CC(CN3C(=O)C)O)N

Isomeric SMILES

CC(=NCCCC(C(C1=NC2=CC=CC=C2S1)O)NC(=O)C3CC(CN3C(=O)C)O)N

InChI

InChI=1S/C21H29N5O4S/c1-12(22)23-9-5-7-16(19(29)21-25-15-6-3-4-8-18(15)31-21)24-20(30)17-10-14(28)11-26(17)13(2)27/h3-4,6,8,14,16-17,19,28-29H,5,7,9-11H2,1-2H3,(H2,22,23)(H,24,30)