(2S)-2-(1-adamantylcarbonylamino)-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid

Systemtic Name: (2S)-2-(1-adamantylcarbonylamino)-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Openeye Name: (2S)-2-(adamantane-1-carbonylamino)-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-[4-[dimethylamino(oxo)methoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-(adamantane-1-carbonylamino)-3-[4-(dimethylcarbamoyloxy)phenyl]propanoic acid Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-3-[4-(dimethylcarbamoyloxy)phenyl]propionic acid Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(C)C(=O)OC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30N2O5/c1-25(2)22(29)30-18-5-3-14(4-6-18)10-19(20(26)27)24-21(28)23-11-15-7-16(12-23)9-17(8-15)13-23/h3-6,15-17,19H,7-13H2,1-2H3,(H,24,28)(H,26,27)/t15?,16?,17?,19-,23?/m0/s1