(3Z)-5-[[(E)-3-(1,3-benzodioxol-5-yl)-7-(1,3-benzoxazol-2-yl)hept-6-en-2-yl]-(naphthalen-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy-oxidanyl-methylidene]-4,5-bis(oxidanylidene)pentanoic acid

Systemtic Name: (3Z)-5-[[(E)-3-(1,3-benzodioxol-5-yl)-7-(1,3-benzoxazol-2-yl)hept-6-en-2-yl]-(naphthalen-2-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy-oxidanyl-methylidene]-4,5-bis(oxidanylidene)pentanoic acid Openeye Name: (3Z)-5-[[(E)-2-(1,3-benzodioxol-5-yl)-6-(1,3-benzoxazol-2-yl)-1-methyl-hex-5-enyl]-(2-naphthylmethyl)amino]-3-[tert-butoxy(hydroxy)methylene]-4,5-dioxo-pentanoic acid CAS Name: (3Z)-5-[[(E)-3-(1,3-benzodioxol-5-yl)-7-(1,3-benzoxazol-2-yl)hept-6-en-2-yl]-(2-naphthalenylmethyl)amino]-3-[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]-4,5-dioxopentanoic acid IUPAC Name: (3Z)-5-[[(E)-3-(1,3-benzodioxol-5-yl)-7-(1,3-benzoxazol-2-yl)hept-6-en-2-yl]-(naphthalen-2-ylmethyl)amino]-3-[hydroxy-[(2-methylpropan-2-yl)oxy]methylidene]-4,5-dioxopentanoic acid Traditional Name: (Z)-3-[2-[[(E)-2-(1,3-benzodioxol-5-yl)-6-(1,3-benzoxazol-2-yl)-1-methyl-hex-5-enyl]-(2-naphthylmethyl)amino]-2-keto-acetyl]-4-tert-butoxy-4-hydroxy-but-3-enoic acid Formula: C42H42N2O9 MolecularWeight: 718.79088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCC=CC1=NC2=CC=CC=C2O1)C3=CC4=C(C=C3)OCO4)N(CC5=CC6=CC=CC=C6C=C5)C(=O)C(=O)C(=C(O)OC(C)(C)C)CC(=O)O

Isomeric SMILES

CC(C(CC/C=C/C1=NC2=CC=CC=C2O1)C3=CC4=C(C=C3)OCO4)N(CC5=CC6=CC=CC=C6C=C5)C(=O)C(=O)/C(=C(/O)\OC(C)(C)C)/CC(=O)O

InChI

InChI=1S/C42H42N2O9/c1-26(31(30-19-20-35-36(22-30)51-25-50-35)13-7-10-16-37-43-33-14-8-9-15-34(33)52-37)44(24-27-17-18-28-11-5-6-12-29(28)21-27)40(48)39(47)32(23-38(45)46)41(49)53-42(2,3)4/h5-6,8-12,14-22,26,31,49H,7,13,23-25H2,1-4H3,(H,45,46)/b16-10+,41-32-