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

Systemtic Name: 2-[[1-adamantyloxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-4-methyl-pentanoic acid Openeye Name: 2-[[1-adamantyloxy-[1-(benzyloxycarbonylamino)ethyl]phosphoryl]methyl]-4-methyl-pentanoic acid CAS Name: 2-[[1-adamantyloxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-4-methylpentanoic acid IUPAC Name: 2-[[1-adamantyloxy-[1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]methyl]-4-methylpentanoic acid Traditional Name: 2-[[1-adamantyloxy-[1-(benzyloxycarbonylamino)ethyl]phosphoryl]methyl]-4-methyl-valeric acid Formula: C27H40NO6P MolecularWeight: 505.583361

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CP(=O)(C(C)NC(=O)OCC1=CC=CC=C1)OC23CC4CC(C2)CC(C4)C3)C(=O)O

Isomeric SMILES

CC(C)CC(CP(=O)(C(C)NC(=O)OCC1=CC=CC=C1)OC23CC4CC(C2)CC(C4)C3)C(=O)O

InChI

InChI=1S/C27H40NO6P/c1-18(2)9-24(25(29)30)17-35(32,19(3)28-26(31)33-16-20-7-5-4-6-8-20)34-27-13-21-10-22(14-27)12-23(11-21)15-27/h4-8,18-19,21-24H,9-17H2,1-3H3,(H,28,31)(H,29,30)