2-[2-(1-adamantyl)ethylcarbamoylamino]-4-ethanoylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(1-adamantyl)ethylcarbamoylamino]-4-ethanoylsulfanyl-butanoic acid Openeye Name: 4-acetylsulfanyl-2-[2-(1-adamantyl)ethylcarbamoylamino]butanoic acid CAS Name: 4-(acetylthio)-2-[[[2-(1-adamantyl)ethylamino]-oxomethyl]amino]butanoic acid IUPAC Name: 4-acetylsulfanyl-2-[2-(1-adamantyl)ethylcarbamoylamino]butanoic acid Traditional Name: 4-(acetylthio)-2-[2-(1-adamantyl)ethylcarbamoylamino]butyric acid Formula: C19H30N2O4S MolecularWeight: 382.5175

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(C(=O)O)NC(=O)NCCC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(=O)SCCC(C(=O)O)NC(=O)NCCC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C19H30N2O4S/c1-12(22)26-5-2-16(17(23)24)21-18(25)20-4-3-19-9-13-6-14(10-19)8-15(7-13)11-19/h13-16H,2-11H2,1H3,(H,23,24)(H2,20,21,25)