2-[2-(2-azanyl-1,3-thiazol-4-yl)ethyl-carboxy-amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[2-(2-azanyl-1,3-thiazol-4-yl)ethyl-carboxy-amino]-4-methyl-pentanoic acid Openeye Name: 2-[2-(2-aminothiazol-4-yl)ethyl-carboxy-amino]-4-methyl-pentanoic acid CAS Name: 2-[2-(2-amino-4-thiazolyl)ethyl-carboxyamino]-4-methylpentanoic acid IUPAC Name: 2-[2-(2-amino-1,3-thiazol-4-yl)ethyl-carboxyamino]-4-methylpentanoic acid Traditional Name: 2-[2-(2-aminothiazol-4-yl)ethyl-carboxy-amino]-4-methyl-valeric acid Formula: C12H19N3O4S MolecularWeight: 301.36196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(CCC1=CSC(=N1)N)C(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N(CCC1=CSC(=N1)N)C(=O)O

InChI

InChI=1S/C12H19N3O4S/c1-7(2)5-9(10(16)17)15(12(18)19)4-3-8-6-20-11(13)14-8/h6-7,9H,3-5H2,1-2H3,(H2,13,14)(H,16,17)(H,18,19)