methyl (2R)-2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2R)-2-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl (2R)-2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-4-methyl-pentanoate CAS Name: (2R)-2-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-4-methylpentanoate Traditional Name: (2R)-2-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2N1

Isomeric SMILES

CC(C)C[C@H](C(=O)OC)NC(=O)CSC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C16H21N3O3S/c1-10(2)8-13(15(21)22-3)17-14(20)9-23-16-18-11-6-4-5-7-12(11)19-16/h4-7,10,13H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1