2-[2-[bis[(2-adamantylcarbonylamino)methyl]azaniumyl]ethanoylamino]ethanoate

Systemtic Name: 2-[2-[bis[(2-adamantylcarbonylamino)methyl]azaniumyl]ethanoylamino]ethanoate Openeye Name: 2-[[2-[bis[(adamantane-2-carbonylamino)methyl]ammonio]acetyl]amino]acetate CAS Name: 2-[[2-[bis[[[2-adamantyl(oxo)methyl]amino]methyl]ammonio]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-[bis[(adamantane-2-carbonylamino)methyl]azaniumyl]acetyl]amino]acetate Traditional Name: 2-[[2-[bis[(adamantane-2-carbonylamino)methyl]ammonio]acetyl]amino]acetate Formula: C28H42N4O5 MolecularWeight: 514.65688

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)NC[NH+](CC(=O)NCC(=O)[O-])CNC(=O)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)NC[NH+](CC(=O)NCC(=O)[O-])CNC(=O)C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C28H42N4O5/c33-23(29-11-24(34)35)12-32(13-30-27(36)25-19-3-15-1-16(5-19)6-20(25)4-15)14-31-28(37)26-21-7-17-2-18(9-21)10-22(26)8-17/h15-22,25-26H,1-14H2,(H,29,33)(H,30,36)(H,31,37)(H,34,35)