2-[2-[naphthalen-2-ylmethyl-[3-(4-nitrophenyl)-4-[5-(pyrimidin-5-ylcarbamoyl)furan-2-yl]butan-2-yl]amino]-2-oxidanylidene-ethyl]butanedioic acid

Systemtic Name: 2-[2-[naphthalen-2-ylmethyl-[3-(4-nitrophenyl)-4-[5-(pyrimidin-5-ylcarbamoyl)furan-2-yl]butan-2-yl]amino]-2-oxidanylidene-ethyl]butanedioic acid Openeye Name: 2-[2-[[1-methyl-2-(4-nitrophenyl)-3-[5-(pyrimidin-5-ylcarbamoyl)-2-furyl]propyl]-(2-naphthylmethyl)amino]-2-oxo-ethyl]butanedioic acid CAS Name: 2-[2-[2-naphthalenylmethyl-[3-(4-nitrophenyl)-4-[5-[oxo-(5-pyrimidinylamino)methyl]-2-furanyl]butan-2-yl]amino]-2-oxoethyl]butanedioic acid IUPAC Name: 2-[2-[naphthalen-2-ylmethyl-[3-(4-nitrophenyl)-4-[5-(pyrimidin-5-ylcarbamoyl)furan-2-yl]butan-2-yl]amino]-2-oxoethyl]butanedioic acid Traditional Name: 2-[2-keto-2-[[1-methyl-2-(4-nitrophenyl)-3-[5-(5-pyrimidylcarbamoyl)-2-furyl]propyl]-(2-naphthylmethyl)amino]ethyl]succinic acid Formula: C36H33N5O9 MolecularWeight: 679.67532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(O1)C(=O)NC2=CN=CN=C2)C3=CC=C(C=C3)[N+](=O)[O-])N(CC4=CC5=CC=CC=C5C=C4)C(=O)CC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C(CC1=CC=C(O1)C(=O)NC2=CN=CN=C2)C3=CC=C(C=C3)[N+](=O)[O-])N(CC4=CC5=CC=CC=C5C=C4)C(=O)CC(CC(=O)O)C(=O)O

InChI

InChI=1S/C36H33N5O9/c1-22(40(33(42)15-27(36(46)47)16-34(43)44)20-23-6-7-24-4-2-3-5-26(24)14-23)31(25-8-10-29(11-9-25)41(48)49)17-30-12-13-32(50-30)35(45)39-28-18-37-21-38-19-28/h2-14,18-19,21-22,27,31H,15-17,20H2,1H3,(H,39,45)(H,43,44)(H,46,47)