2-[[3-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-carboxy-amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-[(6-bromanyl-1,3-benzothiazol-2-yl)amino]-3-oxidanylidene-propyl]-carboxy-amino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]-carboxy-amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-carboxyamino]-4-methylpentanoic acid IUPAC Name: 2-[[3-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-carboxyamino]-4-methylpentanoic acid Traditional Name: 2-[[3-[(6-bromo-1,3-benzothiazol-2-yl)amino]-3-keto-propyl]-carboxy-amino]-4-methyl-valeric acid Formula: C17H20BrN3O5S MolecularWeight: 458.3268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCC(=O)NC1=NC2=C(S1)C=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCC(=O)NC1=NC2=C(S1)C=C(C=C2)Br)C(=O)O

InChI

InChI=1S/C17H20BrN3O5S/c1-9(2)7-12(15(23)24)21(17(25)26)6-5-14(22)20-16-19-11-4-3-10(18)8-13(11)27-16/h3-4,8-9,12H,5-7H2,1-2H3,(H,23,24)(H,25,26)(H,19,20,22)