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

Systemtic Name: methyl 2-[2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(1-cyclopropyl-5-tetrazolyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[(1-cyclopropyltetrazol-5-yl)thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C13H21N5O3S MolecularWeight: 327.40254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NN=NN1C2CC2

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NN=NN1C2CC2

InChI

InChI=1S/C13H21N5O3S/c1-4-8(2)11(12(20)21-3)14-10(19)7-22-13-15-16-17-18(13)9-5-6-9/h8-9,11H,4-7H2,1-3H3,(H,14,19)