2-[(4-methyl-2-methylsulfonyl-pentanoyl)-(2-methylpropylamino)amino]-N-(oxan-2-yloxy)-3-phenylsulfanyl-propanamide

Systemtic Name: 2-[(4-methyl-2-methylsulfonyl-pentanoyl)-(2-methylpropylamino)amino]-N-(oxan-2-yloxy)-3-phenylsulfanyl-propanamide Openeye Name: 2-[(isobutylamino)-(4-methyl-2-methylsulfonyl-pentanoyl)amino]-3-phenylsulfanyl-N-tetrahydropyran-2-yloxy-propanamide CAS Name: 2-[(4-methyl-2-methylsulfonyl-1-oxopentyl)-(2-methylpropylamino)amino]-N-(2-oxanyloxy)-3-(phenylthio)propanamide IUPAC Name: 2-[(4-methyl-2-methylsulfonylpentanoyl)-(2-methylpropylamino)amino]-N-(oxan-2-yloxy)-3-phenylsulfanylpropanamide Traditional Name: 2-[(isobutylamino)-(2-mesyl-4-methyl-pentanoyl)amino]-3-(phenylthio)-N-tetrahydropyran-2-yloxy-propionamide Formula: C25H41N3O6S2 MolecularWeight: 543.73954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C(CSC1=CC=CC=C1)C(=O)NOC2CCCCO2)NCC(C)C)S(=O)(=O)C

Isomeric SMILES

CC(C)CC(C(=O)N(C(CSC1=CC=CC=C1)C(=O)NOC2CCCCO2)NCC(C)C)S(=O)(=O)C

InChI

InChI=1S/C25H41N3O6S2/c1-18(2)15-22(36(5,31)32)25(30)28(26-16-19(3)4)21(17-35-20-11-7-6-8-12-20)24(29)27-34-23-13-9-10-14-33-23/h6-8,11-12,18-19,21-23,26H,9-10,13-17H2,1-5H3,(H,27,29)