3-(2-azanylethyl)-N-[(1S)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonyl-2-oxidanylidene-benzimidazole-5-carboxamide

Systemtic Name: 3-(2-azanylethyl)-N-[(1S)-1,3-bis(oxidanyl)-1-phenyl-propan-2-yl]-1-[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl]carbonyl-2-oxidanylidene-benzimidazole-5-carboxamide Openeye Name: 3-(2-aminoethyl)-N-[(2S)-2-hydroxy-1-(hydroxymethyl)-2-phenyl-ethyl]-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]-2-oxo-benzimidazole-5-carboxamide CAS Name: 3-(2-aminoethyl)-N-[(1S)-1,3-dihydroxy-1-phenylpropan-2-yl]-1-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-oxomethyl]-2-oxo-5-benzimidazolecarboxamide IUPAC Name: 3-(2-aminoethyl)-N-[(1S)-1,3-dihydroxy-1-phenylpropan-2-yl]-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]-2-oxobenzimidazole-5-carboxamide Traditional Name: 3-(2-aminoethyl)-N-[(2S)-2-hydroxy-1-methylol-2-phenyl-ethyl]-1-[(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexanecarbonyl]-2-keto-benzimidazole-5-carboxamide Formula: C30H40N4O5 MolecularWeight: 536.6624

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)C(=O)N2C3=C(C=C(C=C3)C(=O)NC(CO)C(C4=CC=CC=C4)O)N(C2=O)CCN)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)C(=O)N2C3=C(C=C(C=C3)C(=O)NC(CO)[C@H](C4=CC=CC=C4)O)N(C2=O)CCN)C(C)C

InChI

InChI=1S/C30H40N4O5/c1-18(2)22-11-9-19(3)15-23(22)29(38)34-25-12-10-21(16-26(25)33(14-13-31)30(34)39)28(37)32-24(17-35)27(36)20-7-5-4-6-8-20/h4-8,10,12,16,18-19,22-24,27,35-36H,9,11,13-15,17,31H2,1-3H3,(H,32,37)/t19-,22+,23-,24?,27+/m1/s1