5-(1-adamantyl)-2-(aminocarbonylamino)-2-(2-ethanoylsulfanylethyl)pentanoic acid

Systemtic Name: 5-(1-adamantyl)-2-(aminocarbonylamino)-2-(2-ethanoylsulfanylethyl)pentanoic acid Openeye Name: 2-(2-acetylsulfanylethyl)-5-(1-adamantyl)-2-ureido-pentanoic acid CAS Name: 2-[2-(acetylthio)ethyl]-5-(1-adamantyl)-2-(carbamoylamino)pentanoic acid IUPAC Name: 2-(2-acetylsulfanylethyl)-5-(1-adamantyl)-2-(carbamoylamino)pentanoic acid Traditional Name: 2-[2-(acetylthio)ethyl]-5-(1-adamantyl)-2-ureido-valeric acid Formula: C20H32N2O4S MolecularWeight: 396.54408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CCCC12CC3CC(C1)CC(C3)C2)(C(=O)O)NC(=O)N

Isomeric SMILES

CC(=O)SCCC(CCCC12CC3CC(C1)CC(C3)C2)(C(=O)O)NC(=O)N

InChI

InChI=1S/C20H32N2O4S/c1-13(23)27-6-5-20(17(24)25,22-18(21)26)4-2-3-19-10-14-7-15(11-19)9-16(8-14)12-19/h14-16H,2-12H2,1H3,(H,24,25)(H3,21,22,26)