2-[[3-(1-adamantylsulfanyl)-1-ethoxy-1-oxidanylidene-propan-2-yl]amino]propanoic acid

Systemtic Name: 2-[[3-(1-adamantylsulfanyl)-1-ethoxy-1-oxidanylidene-propan-2-yl]amino]propanoic acid Openeye Name: 2-[[1-(1-adamantylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]amino]propanoic acid CAS Name: 2-[[3-(1-adamantylthio)-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid IUPAC Name: 2-[[3-(1-adamantylsulfanyl)-1-ethoxy-1-oxopropan-2-yl]amino]propanoic acid Traditional Name: 2-[[1-[(1-adamantylthio)methyl]-2-ethoxy-2-keto-ethyl]amino]propionic acid Formula: C18H29NO4S MolecularWeight: 355.49216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC12CC3CC(C1)CC(C3)C2)NC(C)C(=O)O

Isomeric SMILES

CCOC(=O)C(CSC12CC3CC(C1)CC(C3)C2)NC(C)C(=O)O

InChI

InChI=1S/C18H29NO4S/c1-3-23-17(22)15(19-11(2)16(20)21)10-24-18-7-12-4-13(8-18)6-14(5-12)9-18/h11-15,19H,3-10H2,1-2H3,(H,20,21)