N-[1-cyclohexyl-3,4-bis(oxidanyl)-6-pyridin-2-yl-hexan-2-yl]-3-(1H-imidazol-5-yl)-2-[4-(1-methylpiperazin-2-yl)sulfonyl-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]propanamide

Systemtic Name: N-[1-cyclohexyl-3,4-bis(oxidanyl)-6-pyridin-2-yl-hexan-2-yl]-3-(1H-imidazol-5-yl)-2-[4-(1-methylpiperazin-2-yl)sulfonyl-2-oxidanylidene-3-(phenylmethyl)piperazin-1-yl]propanamide Openeye Name: 2-[3-benzyl-4-(1-methylpiperazin-2-yl)sulfonyl-2-oxo-piperazin-1-yl]-N-[1-(cyclohexylmethyl)-2,3-dihydroxy-5-(2-pyridyl)pentyl]-3-(1H-imidazol-5-yl)propanamide CAS Name: N-[1-cyclohexyl-3,4-dihydroxy-6-(2-pyridinyl)hexan-2-yl]-3-(1H-imidazol-5-yl)-2-[4-[(1-methyl-2-piperazinyl)sulfonyl]-2-oxo-3-(phenylmethyl)-1-piperazinyl]propanamide IUPAC Name: 2-[3-benzyl-4-(1-methylpiperazin-2-yl)sulfonyl-2-oxopiperazin-1-yl]-N-(1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl)-3-(1H-imidazol-5-yl)propanamide Traditional Name: 2-[3-benzyl-2-keto-4-(1-methylpiperazin-2-yl)sulfonyl-piperazino]-N-[1-(cyclohexylmethyl)-2,3-dihydroxy-5-(2-pyridyl)pentyl]-3-(1H-imidazol-5-yl)propionamide Formula: C39H56N8O6S MolecularWeight: 764.97694

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNCC1S(=O)(=O)N2CCN(C(=O)C2CC3=CC=CC=C3)C(CC4=CN=CN4)C(=O)NC(CC5CCCCC5)C(C(CCC6=CC=CC=N6)O)O

Isomeric SMILES

CN1CCNCC1S(=O)(=O)N2CCN(C(=O)C2CC3=CC=CC=C3)C(CC4=CN=CN4)C(=O)NC(CC5CCCCC5)C(C(CCC6=CC=CC=N6)O)O

InChI

InChI=1S/C39H56N8O6S/c1-45-19-18-40-26-36(45)54(52,53)47-21-20-46(39(51)34(47)23-29-12-6-3-7-13-29)33(24-31-25-41-27-43-31)38(50)44-32(22-28-10-4-2-5-11-28)37(49)35(48)16-15-30-14-8-9-17-42-30/h3,6-9,12-14,17,25,27-28,32-37,40,48-49H,2,4-5,10-11,15-16,18-24,26H2,1H3,(H,41,43)(H,44,50)