methyl 2-[1-adamantylcarbamoyl(pyridin-2-ylmethyl)amino]-3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-propanoate

Systemtic Name: methyl 2-[1-adamantylcarbamoyl(pyridin-2-ylmethyl)amino]-3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-propanoate Openeye Name: methyl 2-[1-adamantylcarbamoyl(2-pyridylmethyl)amino]-3-(2-methoxy-2-oxo-ethyl)sulfanyl-propanoate CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-(2-pyridinylmethyl)amino]-3-[(2-methoxy-2-oxoethyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-[1-adamantylcarbamoyl(pyridin-2-ylmethyl)amino]-3-(2-methoxy-2-oxoethyl)sulfanylpropanoate Traditional Name: 2-[1-adamantylcarbamoyl(2-pyridylmethyl)amino]-3-[(2-keto-2-methoxy-ethyl)thio]propionic acid methyl ester Formula: C24H33N3O5S MolecularWeight: 475.60092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCC(C(=O)OC)N(CC1=CC=CC=N1)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)CSCC(C(=O)OC)N(CC1=CC=CC=N1)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H33N3O5S/c1-31-21(28)15-33-14-20(22(29)32-2)27(13-19-5-3-4-6-25-19)23(30)26-24-10-16-7-17(11-24)9-18(8-16)12-24/h3-6,16-18,20H,7-15H2,1-2H3,(H,26,30)