2-[[1-adamantyloxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-phenylmethoxy-propanoic acid

Systemtic Name: 2-[[1-adamantyloxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-phenylmethoxy-propanoic acid Openeye Name: 2-[[1-adamantyloxy-[1-(benzyloxycarbonylamino)ethyl]phosphoryl]methyl]-3-benzyloxy-propanoic acid CAS Name: 2-[[1-adamantyloxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-phenylmethoxypropanoic acid IUPAC Name: 2-[[1-adamantyloxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-3-phenylmethoxypropanoic acid Traditional Name: 2-[[1-adamantyloxy-[1-(benzyloxycarbonylamino)ethyl]phosphoryl]methyl]-3-benzoxy-propionic acid Formula: C31H40NO7P MolecularWeight: 569.625561

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)OCC1=CC=CC=C1)P(=O)(CC(COCC2=CC=CC=C2)C(=O)O)OC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(NC(=O)OCC1=CC=CC=C1)P(=O)(CC(COCC2=CC=CC=C2)C(=O)O)OC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C31H40NO7P/c1-22(32-30(35)38-19-24-10-6-3-7-11-24)40(36,39-31-15-25-12-26(16-31)14-27(13-25)17-31)21-28(29(33)34)20-37-18-23-8-4-2-5-9-23/h2-11,22,25-28H,12-21H2,1H3,(H,32,35)(H,33,34)