2-[[1-adamantyloxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-4-phenyl-butanoic acid

Systemtic Name: 2-[[1-adamantyloxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-4-phenyl-butanoic acid Openeye Name: 2-[[1-adamantyloxy-[1-(benzyloxycarbonylamino)-2-phenyl-ethyl]phosphoryl]methyl]-4-phenyl-butanoic acid CAS Name: 2-[[1-adamantyloxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-4-phenylbutanoic acid IUPAC Name: 2-[[1-adamantyloxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-4-phenylbutanoic acid Traditional Name: 2-[[1-adamantyloxy-[1-(benzyloxycarbonylamino)-2-phenyl-ethyl]phosphoryl]methyl]-4-phenyl-butyric acid Formula: C37H44NO6P MolecularWeight: 629.722121

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OP(=O)(CC(CCC4=CC=CC=C4)C(=O)O)C(CC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OP(=O)(CC(CCC4=CC=CC=C4)C(=O)O)C(CC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C37H44NO6P/c39-35(40)33(17-16-27-10-4-1-5-11-27)26-45(42,44-37-22-30-18-31(23-37)20-32(19-30)24-37)34(21-28-12-6-2-7-13-28)38-36(41)43-25-29-14-8-3-9-15-29/h1-15,30-34H,16-26H2,(H,38,41)(H,39,40)