phenyl (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: phenyl (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: phenyl (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid phenyl ester IUPAC Name: phenyl (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid phenyl ester Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3/c1-14(2)19(20(24)26-18-6-4-3-5-7-18)23-21(25)22-11-15-8-16(12-22)10-17(9-15)13-22/h3-7,14-17,19H,8-13H2,1-2H3,(H,23,25)/t15?,16?,17?,19-,22?/m1/s1