2-azanyl-N-[5-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-sulfanyl-pentanoyl]-2-butyl-3-methyl-imidazol-4-yl]-N-methyl-3-sulfanyl-propanamide

Systemtic Name: 2-azanyl-N-[5-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-sulfanyl-pentanoyl]-2-butyl-3-methyl-imidazol-4-yl]-N-methyl-3-sulfanyl-propanamide Openeye Name: 2-amino-N-[2-butyl-5-[5-(1,3-dioxoisoindolin-2-yl)-5-sulfanyl-pentanoyl]-3-methyl-imidazol-4-yl]-N-methyl-3-sulfanyl-propanamide CAS Name: 2-amino-N-[2-butyl-5-[5-(1,3-dioxo-2-isoindolyl)-5-mercapto-1-oxopentyl]-3-methyl-4-imidazolyl]-3-mercapto-N-methylpropanamide IUPAC Name: 2-amino-N-[2-butyl-5-[5-(1,3-dioxoisoindol-2-yl)-5-sulfanylpentanoyl]-3-methylimidazol-4-yl]-N-methyl-3-sulfanylpropanamide Traditional Name: 2-amino-N-[2-butyl-5-(5-mercapto-5-phthalimido-pentanoyl)-3-methyl-imidazol-4-yl]-3-mercapto-N-methyl-propionamide Formula: C25H33N5O4S2 MolecularWeight: 531.69062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1C)N(C)C(=O)C(CS)N)C(=O)CCCC(N2C(=O)C3=CC=CC=C3C2=O)S

Isomeric SMILES

CCCCC1=NC(=C(N1C)N(C)C(=O)C(CS)N)C(=O)CCCC(N2C(=O)C3=CC=CC=C3C2=O)S

InChI

InChI=1S/C25H33N5O4S2/c1-4-5-12-19-27-21(22(28(19)2)29(3)25(34)17(26)14-35)18(31)11-8-13-20(36)30-23(32)15-9-6-7-10-16(15)24(30)33/h6-7,9-10,17,20,35-36H,4-5,8,11-14,26H2,1-3H3