N-[5-methyl-6-(2-methylpropylamino)-3,4-bis(oxidanyl)-6-oxidanylidene-1-phenyl-hexan-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[5-methyl-6-(2-methylpropylamino)-3,4-bis(oxidanyl)-6-oxidanylidene-1-phenyl-hexan-2-yl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[1-benzyl-2,3-dihydroxy-5-(isobutylamino)-4-methyl-5-oxo-pentyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[3,4-dihydroxy-5-methyl-6-(2-methylpropylamino)-6-oxo-1-phenylhexan-2-yl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[3,4-dihydroxy-5-methyl-6-(2-methylpropylamino)-6-oxo-1-phenylhexan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[1-benzyl-2,3-dihydroxy-5-(isobutylamino)-5-keto-4-methyl-pentyl]-4-pyrrolidinosulfonyl-benzamide Formula: C28H39N3O6S MolecularWeight: 545.69076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)C(C(C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)O)O

Isomeric SMILES

CC(C)CNC(=O)C(C)C(C(C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)O)O

InChI

InChI=1S/C28H39N3O6S/c1-19(2)18-29-27(34)20(3)25(32)26(33)24(17-21-9-5-4-6-10-21)30-28(35)22-11-13-23(14-12-22)38(36,37)31-15-7-8-16-31/h4-6,9-14,19-20,24-26,32-33H,7-8,15-18H2,1-3H3,(H,29,34)(H,30,35)