2-[5-[3-(2-azanyl-4-methyl-pentanoyl)-2-sulfanyl-1,2-dihydropyridin-4-yl]-5-oxidanylidene-pentyl]isoindole-1,3-dione

Systemtic Name: 2-[5-[3-(2-azanyl-4-methyl-pentanoyl)-2-sulfanyl-1,2-dihydropyridin-4-yl]-5-oxidanylidene-pentyl]isoindole-1,3-dione Openeye Name: 2-[5-[3-(2-amino-4-methyl-pentanoyl)-2-sulfanyl-1,2-dihydropyridin-4-yl]-5-oxo-pentyl]isoindoline-1,3-dione CAS Name: 2-[5-[3-(2-amino-4-methyl-1-oxopentyl)-2-mercapto-1,2-dihydropyridin-4-yl]-5-oxopentyl]isoindole-1,3-dione IUPAC Name: 2-[5-[3-(2-amino-4-methylpentanoyl)-2-sulfanyl-1,2-dihydropyridin-4-yl]-5-oxopentyl]isoindole-1,3-dione Traditional Name: 2-[5-[3-(2-amino-4-methyl-pentanoyl)-2-mercapto-1,2-dihydropyridin-4-yl]-5-keto-pentyl]isoindoline-1,3-quinone Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C1=C(C=CNC1S)C(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)N

Isomeric SMILES

CC(C)CC(C(=O)C1=C(C=CNC1S)C(=O)CCCCN2C(=O)C3=CC=CC=C3C2=O)N

InChI

InChI=1S/C24H29N3O4S/c1-14(2)13-18(25)21(29)20-17(10-11-26-22(20)32)19(28)9-5-6-12-27-23(30)15-7-3-4-8-16(15)24(27)31/h3-4,7-8,10-11,14,18,22,26,32H,5-6,9,12-13,25H2,1-2H3