4-[[3,5-bis[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]amino]-4-oxidanylidene-2-phenyl-butanoic acid

Systemtic Name: 4-[[3,5-bis[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]amino]-4-oxidanylidene-2-phenyl-butanoic acid Openeye Name: 4-[3,5-bis[(6-sulfo-1-naphthyl)carbamoyl]anilino]-4-oxo-2-phenyl-butanoic acid CAS Name: 4-[3,5-bis[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]anilino]-4-oxo-2-phenylbutanoic acid IUPAC Name: 4-[3,5-bis[(6-sulfonaphthalen-1-yl)carbamoyl]anilino]-4-oxo-2-phenylbutanoic acid Traditional Name: 4-[3,5-bis[(6-sulfo-1-naphthyl)carbamoyl]anilino]-4-keto-2-phenyl-butyric acid Formula: C38H29N3O11S2 MolecularWeight: 767.78036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)C(=O)NC5=CC=CC6=C5C=CC(=C6)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C38H29N3O11S2/c42-35(21-32(38(45)46)22-6-2-1-3-7-22)39-27-17-25(36(43)40-33-10-4-8-23-19-28(53(47,48)49)12-14-30(23)33)16-26(18-27)37(44)41-34-11-5-9-24-20-29(54(50,51)52)13-15-31(24)34/h1-20,32H,21H2,(H,39,42)(H,40,43)(H,41,44)(H,45,46)(H,47,48,49)(H,50,51,52)