(4-methylsulfanylphenyl)methyl (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: (4-methylsulfanylphenyl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [4-(methylthio)benzyl] ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)SC)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)OCC1=CC=C(C=C1)SC)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H29NO3S/c1-14(20(24)26-13-15-3-5-19(27-2)6-4-15)23-21(25)22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,14,16-18H,7-13H2,1-2H3,(H,23,25)/t14-,16?,17?,18?,22?/m0/s1