methyl 2-[2-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)sulfanyl]ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[2-[(2-azanyl-4-methyl-1,3-thiazol-5-yl)sulfanyl]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-(2-amino-4-methyl-thiazol-5-yl)sulfanylacetyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[(2-amino-4-methyl-5-thiazolyl)thio]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]acetyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-[(2-amino-4-methyl-thiazol-5-yl)thio]acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C13H21N3O3S2 MolecularWeight: 331.45414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N)SCC(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)N)SCC(=O)NC(CC(C)C)C(=O)OC

InChI

InChI=1S/C13H21N3O3S2/c1-7(2)5-9(11(18)19-4)16-10(17)6-20-12-8(3)15-13(14)21-12/h7,9H,5-6H2,1-4H3,(H2,14,15)(H,16,17)