(2R)-2-[[4-(1-adamantyl)phenyl]carbonylamino]-3-methyl-butanoate

Systemtic Name: (2R)-2-[[4-(1-adamantyl)phenyl]carbonylamino]-3-methyl-butanoate Openeye Name: (2R)-2-[[4-(1-adamantyl)benzoyl]amino]-3-methyl-butanoate CAS Name: (2R)-2-[[[4-(1-adamantyl)phenyl]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2R)-2-[[4-(1-adamantyl)benzoyl]amino]-3-methylbutanoate Traditional Name: (2R)-2-[[4-(1-adamantyl)benzoyl]amino]-3-methyl-butyrate Formula: C22H28NO3- MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO3/c1-13(2)19(21(25)26)23-20(24)17-3-5-18(6-4-17)22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16,19H,7-12H2,1-2H3,(H,23,24)(H,25,26)/p-1/t14?,15?,16?,19-,22?/m1/s1