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

Systemtic Name: methyl (2R)-3-methyl-2-[[(5S,7R)-3-phenyl-1-adamantyl]carbonylamino]butanoate Openeye Name: methyl (2R)-3-methyl-2-[[(5S,7R)-3-phenyladamantane-1-carbonyl]amino]butanoate CAS Name: (2R)-3-methyl-2-[[oxo-[(5S,7R)-3-phenyl-1-adamantyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2R)-3-methyl-2-[[(5S,7R)-3-phenyladamantane-1-carbonyl]amino]butanoate Traditional Name: (2R)-3-methyl-2-[[(5S,7R)-3-phenyladamantane-1-carbonyl]amino]butyric acid methyl ester Formula: C23H31NO3 MolecularWeight: 369.49714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C12CC3CC(C1)CC(C3)(C2)C4=CC=CC=C4

Isomeric SMILES

CC(C)[C@H](C(=O)OC)NC(=O)C12C[C@@H]3C[C@H](C1)CC(C3)(C2)C4=CC=CC=C4

InChI

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