1-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]benzimidazole-5-carboxylate

Systemtic Name: 1-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]benzimidazole-5-carboxylate Openeye Name: 1-[(1S)-1-methyl-2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]benzimidazole-5-carboxylate CAS Name: 1-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-5-benzimidazolecarboxylate IUPAC Name: 1-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]benzimidazole-5-carboxylate Traditional Name: 1-[(1S)-2-keto-1-methyl-2-[[(1S)-1-methylpropyl]amino]ethyl]benzimidazole-5-carboxylate Formula: C15H18N3O3- MolecularWeight: 288.32172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C)N1C=NC2=C1C=CC(=C2)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)NC(=O)[C@H](C)N1C=NC2=C1C=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H19N3O3/c1-4-9(2)17-14(19)10(3)18-8-16-12-7-11(15(20)21)5-6-13(12)18/h5-10H,4H2,1-3H3,(H,17,19)(H,20,21)/p-1/t9-,10-/m0/s1