1-(2-azanyl-3-methyl-butanoyl)-N-[1-(1,3-benzothiazol-2-yl)-3-methyl-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanyl-3-methyl-butanoyl)-N-[1-(1,3-benzothiazol-2-yl)-3-methyl-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-amino-3-methyl-butanoyl)-N-[1-(1,3-benzothiazole-2-carbonyl)-2-methyl-propyl]pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-3-methyl-1-oxobutyl)-N-[1-(1,3-benzothiazol-2-yl)-3-methyl-1-oxobutan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-amino-3-methylbutanoyl)-N-[1-(1,3-benzothiazol-2-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 1-(2-amino-3-methyl-butanoyl)-N-[1-(1,3-benzothiazole-2-carbonyl)-2-methyl-propyl]pyrrolidine-2-carboxamide Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C2=NC3=CC=CC=C3S2)N

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)C2=NC3=CC=CC=C3S2)N

InChI

InChI=1S/C22H30N4O3S/c1-12(2)17(23)22(29)26-11-7-9-15(26)20(28)25-18(13(3)4)19(27)21-24-14-8-5-6-10-16(14)30-21/h5-6,8,10,12-13,15,17-18H,7,9,11,23H2,1-4H3,(H,25,28)