[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C12H19N3O3S MolecularWeight: 285.36256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OC(C)C(=O)N

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)C1=CSC(=N1)NCCC(C)C

InChI

InChI=1S/C12H19N3O3S/c1-7(2)4-5-14-12-15-9(6-19-12)11(17)18-8(3)10(13)16/h6-8H,4-5H2,1-3H3,(H2,13,16)(H,14,15)/t8-/m1/s1