(3S)-3-(1-adamantylcarbonylamino)-3-(4-tert-butylphenyl)propanoate

Systemtic Name: (3S)-3-(1-adamantylcarbonylamino)-3-(4-tert-butylphenyl)propanoate Openeye Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-tert-butylphenyl)propanoate CAS Name: (3S)-3-[[1-adamantyl(oxo)methyl]amino]-3-(4-tert-butylphenyl)propanoate IUPAC Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-tert-butylphenyl)propanoate Traditional Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-tert-butylphenyl)propionate Formula: C24H32NO3- MolecularWeight: 382.51578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO3/c1-23(2,3)19-6-4-18(5-7-19)20(11-21(26)27)25-22(28)24-12-15-8-16(13-24)10-17(9-15)14-24/h4-7,15-17,20H,8-14H2,1-3H3,(H,25,28)(H,26,27)/p-1/t15?,16?,17?,20-,24?/m0/s1