2-[[2-(1-adamantyl)ethyl-(2-ethanoylsulfanylethyl)carbamoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-(1-adamantyl)ethyl-(2-ethanoylsulfanylethyl)carbamoyl]amino]ethanoic acid Openeye Name: 2-[[2-acetylsulfanylethyl-[2-(1-adamantyl)ethyl]carbamoyl]amino]acetic acid CAS Name: 2-[[[2-(acetylthio)ethyl-[2-(1-adamantyl)ethyl]amino]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[2-acetylsulfanylethyl-[2-(1-adamantyl)ethyl]carbamoyl]amino]acetic acid Traditional Name: 2-[[2-(acetylthio)ethyl-[2-(1-adamantyl)ethyl]carbamoyl]amino]acetic acid Formula: C19H30N2O4S MolecularWeight: 382.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCC(=O)O

Isomeric SMILES

CC(=O)SCCN(CCC12CC3CC(C1)CC(C3)C2)C(=O)NCC(=O)O

InChI

InChI=1S/C19H30N2O4S/c1-13(22)26-5-4-21(18(25)20-12-17(23)24)3-2-19-9-14-6-15(10-19)8-16(7-14)11-19/h14-16H,2-12H2,1H3,(H,20,25)(H,23,24)