1-[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]-N-cyclohexyl-N-prop-2-enyl-2-(pyridin-3-ylcarbonylamino)benzimidazole-5-carboxamide

Systemtic Name: 1-[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propyl]-N-cyclohexyl-N-prop-2-enyl-2-(pyridin-3-ylcarbonylamino)benzimidazole-5-carboxamide Openeye Name: N-allyl-N-cyclohexyl-1-[(2S)-2,3-diamino-3-oxo-propyl]-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide CAS Name: N-cyclohexyl-1-[(2S)-2,3-diamino-3-oxopropyl]-2-[[oxo(3-pyridinyl)methyl]amino]-N-prop-2-enyl-5-benzimidazolecarboxamide IUPAC Name: N-cyclohexyl-1-[(2S)-2,3-diamino-3-oxopropyl]-N-prop-2-enyl-2-(pyridine-3-carbonylamino)benzimidazole-5-carboxamide Traditional Name: N-allyl-N-cyclohexyl-1-[(2S)-2,3-diamino-3-keto-propyl]-2-nicotinamido-benzimidazole-5-carboxamide Formula: C26H31N7O3 MolecularWeight: 489.56944

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CN=CC=C4)CC(C(=O)N)N

Isomeric SMILES

C=CCN(C1CCCCC1)C(=O)C2=CC3=C(C=C2)N(C(=N3)NC(=O)C4=CN=CC=C4)C[C@@H](C(=O)N)N

InChI

InChI=1S/C26H31N7O3/c1-2-13-32(19-8-4-3-5-9-19)25(36)17-10-11-22-21(14-17)30-26(33(22)16-20(27)23(28)34)31-24(35)18-7-6-12-29-15-18/h2,6-7,10-12,14-15,19-20H,1,3-5,8-9,13,16,27H2,(H2,28,34)(H,30,31,35)/t20-/m0/s1