(2R)-2-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (2R)-2-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (2R)-2-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: (2R)-2-[[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxoethyl]thio]propanoate IUPAC Name: (2R)-2-[2-[1-adamantyl-[(3-methoxyphenyl)methyl]amino]-2-oxoethyl]sulfanylpropanoate Traditional Name: (2R)-2-[[2-[1-adamantyl(m-anisyl)amino]-2-keto-ethyl]thio]propionate Formula: C23H30NO4S- MolecularWeight: 416.5536

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC(=O)N(CC1=CC(=CC=C1)OC)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)[O-])SCC(=O)N(CC1=CC(=CC=C1)OC)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31NO4S/c1-15(22(26)27)29-14-21(25)24(13-16-4-3-5-20(9-16)28-2)23-10-17-6-18(11-23)8-19(7-17)12-23/h3-5,9,15,17-19H,6-8,10-14H2,1-2H3,(H,26,27)/p-1/t15-,17?,18?,19?,23?/m1/s1