methyl (2S)-4-methyl-2-[2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[2-[(4-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[2-[(4-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[2-[(4-methyl-1H-benzimidazol-2-yl)thio]acetyl]amino]valeric acid methyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)NC(=N2)SCC(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)NC(=N2)SCC(=O)N[C@@H](CC(C)C)C(=O)OC

InChI

InChI=1S/C17H23N3O3S/c1-10(2)8-13(16(22)23-4)18-14(21)9-24-17-19-12-7-5-6-11(3)15(12)20-17/h5-7,10,13H,8-9H2,1-4H3,(H,18,21)(H,19,20)/t13-/m0/s1