(2R)-3-methyl-2-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbonylamino]butanoate

Systemtic Name: (2R)-3-methyl-2-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbonylamino]butanoate Openeye Name: (2R)-3-methyl-2-[[(5S,7R)-3-(p-tolyl)adamantane-1-carbonyl]amino]butanoate CAS Name: (2R)-3-methyl-2-[[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-oxomethyl]amino]butanoate IUPAC Name: (2R)-3-methyl-2-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]butanoate Traditional Name: (2R)-3-methyl-2-[[(5S,7R)-3-(p-tolyl)adamantane-1-carbonyl]amino]butyrate Formula: C23H30NO3- MolecularWeight: 368.4892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC(C(C)C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)N[C@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C23H31NO3/c1-14(2)19(20(25)26)24-21(27)23-11-16-8-17(12-23)10-22(9-16,13-23)18-6-4-15(3)5-7-18/h4-7,14,16-17,19H,8-13H2,1-3H3,(H,24,27)(H,25,26)/p-1/t16-,17+,19-,22?,23?/m1/s1