5-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-(methylamino)-3-sulfanyl-propanoyl]-N-phenethyl-2-sulfanyl-pentanamide

Systemtic Name: 5-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[2-(methylamino)-3-sulfanyl-propanoyl]-N-phenethyl-2-sulfanyl-pentanamide Openeye Name: 5-(1,3-dioxoisoindolin-2-yl)-N-[2-(methylamino)-3-sulfanyl-propanoyl]-N-phenethyl-2-sulfanyl-pentanamide CAS Name: 5-(1,3-dioxo-2-isoindolyl)-2-mercapto-N-[3-mercapto-2-(methylamino)-1-oxopropyl]-N-phenethylpentanamide IUPAC Name: 5-(1,3-dioxoisoindol-2-yl)-N-[2-(methylamino)-3-sulfanylpropanoyl]-N-phenethyl-2-sulfanylpentanamide Traditional Name: 2-mercapto-N-[3-mercapto-2-(methylamino)propanoyl]-N-phenethyl-5-phthalimido-valeramide Formula: C25H29N3O4S2 MolecularWeight: 499.64546

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CS)C(=O)N(CCC1=CC=CC=C1)C(=O)C(CCCN2C(=O)C3=CC=CC=C3C2=O)S

Isomeric SMILES

CNC(CS)C(=O)N(CCC1=CC=CC=C1)C(=O)C(CCCN2C(=O)C3=CC=CC=C3C2=O)S

InChI

InChI=1S/C25H29N3O4S2/c1-26-20(16-33)24(31)28(15-13-17-8-3-2-4-9-17)25(32)21(34)12-7-14-27-22(29)18-10-5-6-11-19(18)23(27)30/h2-6,8-11,20-21,26,33-34H,7,12-16H2,1H3