2-[[3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propyl]-carboxy-amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-(1,3-benzothiazol-2-ylamino)-3-oxidanylidene-propyl]-carboxy-amino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-(1,3-benzothiazol-2-ylamino)-3-oxo-propyl]-carboxy-amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-carboxyamino]-4-methylpentanoic acid IUPAC Name: 2-[[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]-carboxyamino]-4-methylpentanoic acid Traditional Name: 2-[[3-(1,3-benzothiazol-2-ylamino)-3-keto-propyl]-carboxy-amino]-4-methyl-valeric acid Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCC(=O)NC1=NC2=CC=CC=C2S1)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCC(=O)NC1=NC2=CC=CC=C2S1)C(=O)O

InChI

InChI=1S/C17H21N3O5S/c1-10(2)9-12(15(22)23)20(17(24)25)8-7-14(21)19-16-18-11-5-3-4-6-13(11)26-16/h3-6,10,12H,7-9H2,1-2H3,(H,22,23)(H,24,25)(H,18,19,21)