N-tert-butyl-3-methyl-4-[(3-methylbutylamino)-(1-phenylbutan-2-yl)amino]-2-methylsulfonyl-3-oxidanyl-4-oxidanylidene-butanamide

Systemtic Name: N-tert-butyl-3-methyl-4-[(3-methylbutylamino)-(1-phenylbutan-2-yl)amino]-2-methylsulfonyl-3-oxidanyl-4-oxidanylidene-butanamide Openeye Name: 4-[1-benzylpropyl-(isopentylamino)amino]-N-tert-butyl-3-hydroxy-3-methyl-2-methylsulfonyl-4-oxo-butanamide CAS Name: N-tert-butyl-3-hydroxy-3-methyl-4-[(3-methylbutylamino)-(1-phenylbutan-2-yl)amino]-2-methylsulfonyl-4-oxobutanamide IUPAC Name: N-tert-butyl-3-hydroxy-3-methyl-4-[(3-methylbutylamino)-(1-phenylbutan-2-yl)amino]-2-methylsulfonyl-4-oxobutanamide Traditional Name: 4-[1-benzylpropyl-(isoamylamino)amino]-N-tert-butyl-3-hydroxy-4-keto-2-mesyl-3-methyl-butyramide Formula: C25H43N3O5S MolecularWeight: 497.69102

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)N(C(=O)C(C)(C(C(=O)NC(C)(C)C)S(=O)(=O)C)O)NCCC(C)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)N(C(=O)C(C)(C(C(=O)NC(C)(C)C)S(=O)(=O)C)O)NCCC(C)C

InChI

InChI=1S/C25H43N3O5S/c1-9-20(17-19-13-11-10-12-14-19)28(26-16-15-18(2)3)23(30)25(7,31)21(34(8,32)33)22(29)27-24(4,5)6/h10-14,18,20-21,26,31H,9,15-17H2,1-8H3,(H,27,29)