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

Systemtic Name: 3-azanyl-4-[[3,5-bis[(6-sulfonaphthalen-1-yl)carbamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[3,5-bis[(6-sulfo-1-naphthyl)carbamoyl]anilino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[3,5-bis[oxo-[(6-sulfo-1-naphthalenyl)amino]methyl]anilino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[3,5-bis[(6-sulfonaphthalen-1-yl)carbamoyl]anilino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[3,5-bis[(6-sulfo-1-naphthyl)carbamoyl]anilino]-4-keto-butyric acid Formula: C32H26N4O11S2 MolecularWeight: 706.69904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NC(=O)C3=CC(=CC(=C3)NC(=O)C(CC(=O)O)N)C(=O)NC4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)NC(=O)C3=CC(=CC(=C3)NC(=O)C(CC(=O)O)N)C(=O)NC4=CC=CC5=C4C=CC(=C5)S(=O)(=O)O

InChI

InChI=1S/C32H26N4O11S2/c33-26(16-29(37)38)32(41)34-21-12-19(30(39)35-27-5-1-3-17-14-22(48(42,43)44)7-9-24(17)27)11-20(13-21)31(40)36-28-6-2-4-18-15-23(49(45,46)47)8-10-25(18)28/h1-15,26H,16,33H2,(H,34,41)(H,35,39)(H,36,40)(H,37,38)(H,42,43,44)(H,45,46,47)