3-[[1-[2-(1,3-benzothiazol-6-ylcarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[2-(1,3-benzothiazol-6-ylcarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(1,3-benzothiazole-6-carbonylamino)-3-methyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(1,3-benzothiazole-6-carbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 3-[[1-[2-(1,3-benzothiazole-6-carbonylamino)-3-methyl-butanoyl]prolyl]amino]-4-keto-butyric acid Formula: C22H26N4O6S MolecularWeight: 474.53004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C22H26N4O6S/c1-12(2)19(25-20(30)13-5-6-15-17(8-13)33-11-23-15)22(32)26-7-3-4-16(26)21(31)24-14(10-27)9-18(28)29/h5-6,8,10-12,14,16,19H,3-4,7,9H2,1-2H3,(H,24,31)(H,25,30)(H,28,29)