(3Z)-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-[cyclopentyloxy(oxidanyl)methylidene]-4,5-bis(oxidanylidene)pentanoic acid

Systemtic Name: (3Z)-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-[cyclopentyloxy(oxidanyl)methylidene]-4,5-bis(oxidanylidene)pentanoic acid Openeye Name: (3Z)-5-[[(E)-2-(3H-1,2-benzodioxol-6-yl)-5-(1,3-benzoxazol-2-yl)-1-methyl-pent-4-enyl]-(2-naphthylmethyl)amino]-3-[cyclopentoxy(hydroxy)methylene]-4,5-dioxo-pentanoic acid CAS Name: (3Z)-5-[[(E)-3-(3H-1,2-benzodioxol-6-yl)-6-(1,3-benzoxazol-2-yl)hex-5-en-2-yl]-(2-naphthalenylmethyl)amino]-3-[cyclopentyloxy(hydroxy)methylidene]-4,5-dioxopentanoic acid IUPAC Name: (3Z)-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-[cyclopentyloxy(hydroxy)methylidene]-4,5-dioxopentanoic acid Traditional Name: (Z)-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-(cyclopentoxy)-4-hydroxy-but-3-enoic acid Formula: C42H40N2O9 MolecularWeight: 716.775

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC=CC1=NC2=CC=CC=C2O1)C3=CC4=C(COO4)C=C3)N(CC5=CC6=CC=CC=C6C=C5)C(=O)C(=O)C(=C(O)OC7CCCC7)CC(=O)O

Isomeric SMILES

CC(C(C/C=C/C1=NC2=CC=CC=C2O1)C3=CC4=C(COO4)C=C3)N(CC5=CC6=CC=CC=C6C=C5)C(=O)C(=O)/C(=C(/O)\OC7CCCC7)/CC(=O)O

InChI

InChI=1S/C42H40N2O9/c1-26(33(30-19-20-31-25-50-53-37(31)22-30)13-8-16-38-43-35-14-6-7-15-36(35)52-38)44(24-27-17-18-28-9-2-3-10-29(28)21-27)41(48)40(47)34(23-39(45)46)42(49)51-32-11-4-5-12-32/h2-3,6-10,14-22,26,32-33,49H,4-5,11-13,23-25H2,1H3,(H,45,46)/b16-8+,42-34-