tert-butyl (2S)-2-(1-adamantylcarbonylamino)-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate

Systemtic Name: tert-butyl (2S)-2-(1-adamantylcarbonylamino)-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate Openeye Name: tert-butyl (2S)-2-(adamantane-1-carbonylamino)-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(adamantane-1-carbonylamino)-3-[4-(dimethylcarbamoyloxy)phenyl]propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid tert-butyl ester Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)N(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C27H38N2O5/c1-26(2,3)34-23(30)22(13-17-6-8-21(9-7-17)33-25(32)29(4)5)28-24(31)27-14-18-10-19(15-27)12-20(11-18)16-27/h6-9,18-20,22H,10-16H2,1-5H3,(H,28,31)/t18?,19?,20?,22-,27?/m0/s1