2-(aminocarbonylamino)-2-(2-ethanoylsulfanylethyl)-5-pyridin-2-yl-pentanoic acid

Systemtic Name: 2-(aminocarbonylamino)-2-(2-ethanoylsulfanylethyl)-5-pyridin-2-yl-pentanoic acid Openeye Name: 2-(2-acetylsulfanylethyl)-5-(2-pyridyl)-2-ureido-pentanoic acid CAS Name: 2-[2-(acetylthio)ethyl]-2-(carbamoylamino)-5-(2-pyridinyl)pentanoic acid IUPAC Name: 2-(2-acetylsulfanylethyl)-2-(carbamoylamino)-5-pyridin-2-ylpentanoic acid Traditional Name: 2-[2-(acetylthio)ethyl]-5-(2-pyridyl)-2-ureido-valeric acid Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CCCC1=CC=CC=N1)(C(=O)O)NC(=O)N

Isomeric SMILES

CC(=O)SCCC(CCCC1=CC=CC=N1)(C(=O)O)NC(=O)N

InChI

InChI=1S/C15H21N3O4S/c1-11(19)23-10-8-15(13(20)21,18-14(16)22)7-4-6-12-5-2-3-9-17-12/h2-3,5,9H,4,6-8,10H2,1H3,(H,20,21)(H3,16,18,22)