2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentanoylamino]-2-ethanoylsulfanyl-4-methyl-pentanoic acid; 3-imidazol-1-ylpropanamide

Systemtic Name: 2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentanoylamino]-2-ethanoylsulfanyl-4-methyl-pentanoic acid; 3-imidazol-1-ylpropanamide Openeye Name: 2-acetylsulfanyl-2-[5-(1,3-dioxoisoindolin-2-yl)pentanoylamino]-4-methyl-pentanoic acid; 3-imidazol-1-ylpropanamide CAS Name: 2-(acetylthio)-2-[[5-(1,3-dioxo-2-isoindolyl)-1-oxopentyl]amino]-4-methylpentanoic acid; 3-(1-imidazolyl)propanamide IUPAC Name: 2-acetylsulfanyl-2-[5-(1,3-dioxoisoindol-2-yl)pentanoylamino]-4-methylpentanoic acid; 3-imidazol-1-ylpropanamide Traditional Name: 2-(acetylthio)-4-methyl-2-(5-phthalimidopentanoylamino)valeric acid; 3-imidazol-1-ylpropionamide Formula: C27H35N5O7S MolecularWeight: 573.6611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)(NC(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)SC(=O)C.C1=CN(C=N1)CCC(=O)N

Isomeric SMILES

CC(C)CC(C(=O)O)(NC(=O)CCCCN1C(=O)C2=CC=CC=C2C1=O)SC(=O)C.C1=CN(C=N1)CCC(=O)N

InChI

InChI=1S/C21H26N2O6S.C6H9N3O/c1-13(2)12-21(20(28)29,30-14(3)24)22-17(25)10-6-7-11-23-18(26)15-8-4-5-9-16(15)19(23)27;7-6(10)1-3-9-4-2-8-5-9/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,22,25)(H,28,29);2,4-5H,1,3H2,(H2,7,10)