N-[4-[[[(2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]methyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[4-[[[(2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]methyl]phenyl]furan-2-carboxamide Openeye Name: N-[4-[[[(2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]methyl]phenyl]furan-2-carboxamide CAS Name: N-[4-[[[(2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[4-[[[(2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]methyl]phenyl]furan-2-carboxamide Traditional Name: N-[4-[[[(2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]methyl]phenyl]-2-furamide Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)[C@H](C(=O)NCC1=CC=C(C=C1)NC(=O)C2=CC=CO2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H35N3O4/c1-17(2)24(31-27(34)28-13-19-10-20(14-28)12-21(11-19)15-28)26(33)29-16-18-5-7-22(8-6-18)30-25(32)23-4-3-9-35-23/h3-9,17,19-21,24H,10-16H2,1-2H3,(H,29,33)(H,30,32)(H,31,34)/t19?,20?,21?,24-,28?/m1/s1