2-[2-[bis[(2-adamantylcarbonylamino)methyl]amino]ethanoylamino]ethanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)NCN(CC(=O)NCC(=O)O)CNC(=O)C4C5CC6CC(C5)CC4C6

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)NCN(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)