[(5S,7R)-3-(phenylmethoxycarbonylamino)-1-adamantyl] N,N-di(propan-2-yl)carbamate

Systemtic Name: [(5S,7R)-3-(phenylmethoxycarbonylamino)-1-adamantyl] N,N-di(propan-2-yl)carbamate Openeye Name: [(5S,7R)-3-(benzyloxycarbonylamino)-1-adamantyl] N,N-diisopropylcarbamate CAS Name: N,N-di(propan-2-yl)carbamic acid [(5S,7R)-3-(phenylmethoxycarbonylamino)-1-adamantyl] ester IUPAC Name: [(5S,7R)-3-(phenylmethoxycarbonylamino)-1-adamantyl] N,N-di(propan-2-yl)carbamate Traditional Name: N,N-diisopropylcarbamic acid [(5S,7R)-3-(benzyloxycarbonylamino)-1-adamantyl] ester Formula: C25H36N2O4 MolecularWeight: 428.56434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)OC12CC3CC(C1)CC(C3)(C2)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)N(C(C)C)C(=O)OC12C[C@@H]3C[C@H](C1)CC(C3)(C2)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H36N2O4/c1-17(2)27(18(3)4)23(29)31-25-13-20-10-21(14-25)12-24(11-20,16-25)26-22(28)30-15-19-8-6-5-7-9-19/h5-9,17-18,20-21H,10-16H2,1-4H3,(H,26,28)/t20-,21+,24?,25?