methyl (2S)-2-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazol-4-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[2-(benzimidazol-1-ylmethyl)oxazole-4-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[2-(1-benzimidazolylmethyl)-4-oxazolyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(benzimidazol-1-ylmethyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-(benzimidazol-1-ylmethyl)oxazole-4-carbonyl]amino]-3-methyl-butyric acid methyl ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1=COC(=N1)CN2C=NC3=CC=CC=C32

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)C1=COC(=N1)CN2C=NC3=CC=CC=C32

InChI

InChI=1S/C18H20N4O4/c1-11(2)16(18(24)25-3)21-17(23)13-9-26-15(20-13)8-22-10-19-12-6-4-5-7-14(12)22/h4-7,9-11,16H,8H2,1-3H3,(H,21,23)/t16-/m0/s1