(Z)-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-(hydroxymethyl)-4-oxidanyl-5-oxidanylidene-pent-3-enoic acid

Systemtic Name: (Z)-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-(hydroxymethyl)-4-oxidanyl-5-oxidanylidene-pent-3-enoic acid Openeye Name: (Z)-5-[[(E)-2-(3H-1,2-benzodioxol-6-yl)-5-(1,3-benzoxazol-2-yl)-1-methyl-pent-4-enyl]-(2-naphthylmethyl)amino]-4-hydroxy-3-(hydroxymethyl)-5-oxo-pent-3-enoic acid CAS Name: (Z)-5-[[(E)-3-(3H-1,2-benzodioxol-6-yl)-6-(1,3-benzoxazol-2-yl)hex-5-en-2-yl]-(2-naphthalenylmethyl)amino]-4-hydroxy-3-(hydroxymethyl)-5-oxo-3-pentenoic acid IUPAC Name: (Z)-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-hydroxy-3-(hydroxymethyl)-5-oxopent-3-enoic acid Traditional Name: (Z)-5-[[(E)-2-(3H-1,2-benzodioxol-6-yl)-5-(1,3-benzoxazol-2-yl)-1-methyl-pent-4-enyl]-(2-naphthylmethyl)amino]-4-hydroxy-5-keto-3-methylol-pent-3-enoic acid Formula: C37H34N2O8 MolecularWeight: 634.67446

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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(=C(CC(=O)O)CO)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(=C(\CC(=O)O)/CO)/O

InChI

InChI=1S/C37H34N2O8/c1-23(39(37(44)36(43)29(21-40)19-35(41)42)20-24-13-14-25-7-2-3-8-26(25)17-24)30(27-15-16-28-22-45-47-33(28)18-27)9-6-12-34-38-31-10-4-5-11-32(31)46-34/h2-8,10-18,23,30,40,43H,9,19-22H2,1H3,(H,41,42)/b12-6+,36-29-