(3E)-5-[[(E)-3-(3H-1,2-benzodioxol-6-yl)-6-(1,3-benzoxazol-2-yl)hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-4,5-bis(oxidanylidene)-3-[oxidanyl(propan-2-yloxy)methylidene]pentanoic acid

Systemtic Name: (3E)-5-[[(E)-3-(3H-1,2-benzodioxol-6-yl)-6-(1,3-benzoxazol-2-yl)hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-4,5-bis(oxidanylidene)-3-[oxidanyl(propan-2-yloxy)methylidene]pentanoic acid Openeye Name: (3E)-5-[[(E)-2-(3H-1,2-benzodioxol-6-yl)-5-(1,3-benzoxazol-2-yl)-1-methyl-pent-4-enyl]-(2-naphthylmethyl)amino]-3-[hydroxy(isopropoxy)methylene]-4,5-dioxo-pentanoic acid CAS Name: (3E)-5-[[(E)-3-(3H-1,2-benzodioxol-6-yl)-6-(1,3-benzoxazol-2-yl)hex-5-en-2-yl]-(2-naphthalenylmethyl)amino]-3-[hydroxy(propan-2-yloxy)methylidene]-4,5-dioxopentanoic acid IUPAC Name: (3E)-5-[[(E)-3-(3H-1,2-benzodioxol-6-yl)-6-(1,3-benzoxazol-2-yl)hex-5-en-2-yl]-(naphthalen-2-ylmethyl)amino]-3-[hydroxy(propan-2-yloxy)methylidene]-4,5-dioxopentanoic acid Traditional Name: (E)-3-[2-[[(E)-2-(3H-1,2-benzodioxol-6-yl)-5-(1,3-benzoxazol-2-yl)-1-methyl-pent-4-enyl]-(2-naphthylmethyl)amino]-2-keto-acetyl]-4-hydroxy-4-isopropoxy-but-3-enoic acid Formula: C40H38N2O9 MolecularWeight: 690.73772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=C(CC(=O)O)C(=O)C(=O)N(CC1=CC2=CC=CC=C2C=C1)C(C)C(CC=CC3=NC4=CC=CC=C4O3)C5=CC6=C(COO6)C=C5)O

Isomeric SMILES

CC(C)O/C(=C(\CC(=O)O)/C(=O)C(=O)N(CC1=CC2=CC=CC=C2C=C1)C(C)C(C/C=C/C3=NC4=CC=CC=C4O3)C5=CC6=C(COO6)C=C5)/O

InChI

InChI=1S/C40H38N2O9/c1-24(2)49-40(47)32(21-37(43)44)38(45)39(46)42(22-26-15-16-27-9-4-5-10-28(27)19-26)25(3)31(29-17-18-30-23-48-51-35(30)20-29)11-8-14-36-41-33-12-6-7-13-34(33)50-36/h4-10,12-20,24-25,31,47H,11,21-23H2,1-3H3,(H,43,44)/b14-8+,40-32+