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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=C(N=C(S1)N)C

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=C(N=C(S1)N)C

InChI

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