(4-methylsulfanylphenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [4-(methylthio)benzyl] ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O3S/c1-28-19-4-2-15(3-5-19)14-27-20(25)6-7-23-21(26)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h2-5,16-18H,6-14H2,1H3,(H2,23,24,26)