2-(aminocarbonylamino)-2-(2-ethanoylsulfanylethyl)-5-pyridin-4-yl-pentanoic acid

Systemtic Name: 2-(aminocarbonylamino)-2-(2-ethanoylsulfanylethyl)-5-pyridin-4-yl-pentanoic acid Openeye Name: 2-(2-acetylsulfanylethyl)-5-(4-pyridyl)-2-ureido-pentanoic acid CAS Name: 2-[2-(acetylthio)ethyl]-2-(carbamoylamino)-5-pyridin-4-ylpentanoic acid IUPAC Name: 2-(2-acetylsulfanylethyl)-2-(carbamoylamino)-5-pyridin-4-ylpentanoic acid Traditional Name: 2-[2-(acetylthio)ethyl]-5-(4-pyridyl)-2-ureido-valeric acid Formula: C15H21N3O4S MolecularWeight: 339.40994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(CCCC1=CC=NC=C1)(C(=O)O)NC(=O)N

Isomeric SMILES

CC(=O)SCCC(CCCC1=CC=NC=C1)(C(=O)O)NC(=O)N

InChI

InChI=1S/C15H21N3O4S/c1-11(19)23-10-7-15(13(20)21,18-14(16)22)6-2-3-12-4-8-17-9-5-12/h4-5,8-9H,2-3,6-7,10H2,1H3,(H,20,21)(H3,16,18,22)