2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-phenyl-propanoyl]-phenethyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-phenyl-propanoyl]-phenethyl-amino]ethanoic acid Openeye Name: 2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-phenyl-propanoyl]-phenethyl-amino]acetic acid CAS Name: 2-[[2-[[2-adamantyloxy(oxo)methyl]amino]-2-methyl-1-oxo-3-phenylpropyl]-phenethylamino]acetic acid IUPAC Name: 2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-phenylpropanoyl]-phenethylamino]acetic acid Traditional Name: 2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-phenyl-propanoyl]-phenethyl-amino]acetic acid Formula: C31H38N2O5 MolecularWeight: 518.64382

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C(=O)N(CCC2=CC=CC=C2)CC(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(CC1=CC=CC=C1)(C(=O)N(CCC2=CC=CC=C2)CC(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C31H38N2O5/c1-31(19-22-10-6-3-7-11-22,29(36)33(20-27(34)35)13-12-21-8-4-2-5-9-21)32-30(37)38-28-25-15-23-14-24(17-25)18-26(28)16-23/h2-11,23-26,28H,12-20H2,1H3,(H,32,37)(H,34,35)