(E)-5-[[3-(1,3-benzodioxol-5-yl)-4-[5-(phenylcarbamoyl)furan-2-yl]butan-2-yl]-(2-oxidanylidene-2-phenylazanyl-ethyl)amino]-5-oxidanylidene-pent-3-enoic acid

Systemtic Name: (E)-5-[[3-(1,3-benzodioxol-5-yl)-4-[5-(phenylcarbamoyl)furan-2-yl]butan-2-yl]-(2-oxidanylidene-2-phenylazanyl-ethyl)amino]-5-oxidanylidene-pent-3-enoic acid Openeye Name: (E)-5-[(2-anilino-2-oxo-ethyl)-[2-(1,3-benzodioxol-5-yl)-1-methyl-3-[5-(phenylcarbamoyl)-2-furyl]propyl]amino]-5-oxo-pent-3-enoic acid CAS Name: (E)-5-[(2-anilino-2-oxoethyl)-[4-[5-[anilino(oxo)methyl]-2-furanyl]-3-(1,3-benzodioxol-5-yl)butan-2-yl]amino]-5-oxo-3-pentenoic acid IUPAC Name: (E)-5-[(2-anilino-2-oxoethyl)-[3-(1,3-benzodioxol-5-yl)-4-[5-(phenylcarbamoyl)furan-2-yl]butan-2-yl]amino]-5-oxopent-3-enoic acid Traditional Name: (E)-5-[(2-anilino-2-keto-ethyl)-[2-(1,3-benzodioxol-5-yl)-1-methyl-3-[5-(phenylcarbamoyl)-2-furyl]propyl]amino]-5-keto-pent-3-enoic acid Formula: C35H33N3O8 MolecularWeight: 623.65182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(O1)C(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)N(CC(=O)NC5=CC=CC=C5)C(=O)C=CCC(=O)O

Isomeric SMILES

CC(C(CC1=CC=C(O1)C(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)N(CC(=O)NC5=CC=CC=C5)C(=O)/C=C/CC(=O)O

InChI

InChI=1S/C35H33N3O8/c1-23(38(33(40)13-8-14-34(41)42)21-32(39)36-25-9-4-2-5-10-25)28(24-15-17-29-31(19-24)45-22-44-29)20-27-16-18-30(46-27)35(43)37-26-11-6-3-7-12-26/h2-13,15-19,23,28H,14,20-22H2,1H3,(H,36,39)(H,37,43)(H,41,42)/b13-8+