N-(tert-butylcarbamoyl)-2-methyl-N-[4-(3-methylbutylamino)-3-oxidanyl-1-phenyl-butan-2-yl]-3-methylsulfonyl-propanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-methyl-N-[4-(3-methylbutylamino)-3-oxidanyl-1-phenyl-butan-2-yl]-3-methylsulfonyl-propanamide Openeye Name: N-[1-benzyl-2-hydroxy-3-(isopentylamino)propyl]-N-(tert-butylcarbamoyl)-2-methyl-3-methylsulfonyl-propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-N-[3-hydroxy-4-(3-methylbutylamino)-1-phenylbutan-2-yl]-2-methyl-3-methylsulfonylpropanamide IUPAC Name: N-(tert-butylcarbamoyl)-N-[3-hydroxy-4-(3-methylbutylamino)-1-phenylbutan-2-yl]-2-methyl-3-methylsulfonylpropanamide Traditional Name: N-[1-benzyl-2-hydroxy-3-(isoamylamino)propyl]-N-(tert-butylcarbamoyl)-3-mesyl-2-methyl-propionamide Formula: C25H43N3O5S MolecularWeight: 497.69102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC(C(CC1=CC=CC=C1)N(C(=O)C(C)CS(=O)(=O)C)C(=O)NC(C)(C)C)O

Isomeric SMILES

CC(C)CCNCC(C(CC1=CC=CC=C1)N(C(=O)C(C)CS(=O)(=O)C)C(=O)NC(C)(C)C)O

InChI

InChI=1S/C25H43N3O5S/c1-18(2)13-14-26-16-22(29)21(15-20-11-9-8-10-12-20)28(24(31)27-25(4,5)6)23(30)19(3)17-34(7,32)33/h8-12,18-19,21-22,26,29H,13-17H2,1-7H3,(H,27,31)