2-[[4-[(2E)-2-[6-[[(6E)-6-[[4-[[1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]phenyl]hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]carbamoylamino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[(2E)-2-[6-[[(6E)-6-[[4-[[1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]carbamoyl]phenyl]hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]carbamoylamino]-1-oxidanylidene-3-sulfo-naphthalen-2-ylidene]hydrazinyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2E)-2-[6-[[(6E)-6-[[4-[(1-carboxy-4-hydroxy-4-oxo-butyl)carbamoyl]phenyl]hydrazono]-5-oxo-7-sulfo-2-naphthyl]carbamoylamino]-1-oxo-3-sulfo-2-naphthylidene]hydrazino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2E)-2-[6-[[[[(6E)-6-[[4-[[(1,5-dihydroxy-1,5-dioxopentan-2-yl)amino]-oxomethyl]phenyl]hydrazinylidene]-5-oxo-7-sulfo-2-naphthalenyl]amino]-oxomethyl]amino]-1-oxo-3-sulfo-2-naphthalenylidene]hydrazinyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2E)-2-[6-[[(6E)-6-[[4-[(1,5-dihydroxy-1,5-dioxopentan-2-yl)carbamoyl]phenyl]hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]carbamoylamino]-1-oxo-3-sulfonaphthalen-2-ylidene]hydrazinyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(N'E)-N'-[6-[[(6E)-6-[[4-[(1-carboxy-4-hydroxy-4-keto-butyl)carbamoyl]phenyl]hydrazono]-5-keto-7-sulfo-2-naphthyl]carbamoylamino]-1-keto-3-sulfo-2-naphthylidene]hydrazino]benzoyl]amino]glutaric acid Formula: C45H38N8O19S2 MolecularWeight: 1058.95542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)C(=NNC6=CC=C(C=C6)C(=O)NC(CCC(=O)O)C(=O)O)C(=C5)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(C(=O)O)CCC(=O)O)N/N=C/2\C(=O)C3=C(C=C2S(=O)(=O)O)C=C(C=C3)NC(=O)NC4=CC5=C(C(=O)/C(=N\NC6=CC=C(C=C6)C(=O)NC(C(=O)O)CCC(=O)O)/C(=C5)S(=O)(=O)O)C=C4

InChI

InChI=1S/C45H38N8O19S2/c54-35(55)15-13-31(43(62)63)48-41(60)21-1-5-25(6-2-21)50-52-37-33(73(67,68)69)19-23-17-27(9-11-29(23)39(37)58)46-45(66)47-28-10-12-30-24(18-28)20-34(74(70,71)72)38(40(30)59)53-51-26-7-3-22(4-8-26)42(61)49-32(44(64)65)14-16-36(56)57/h1-12,17-20,31-32,50-51H,13-16H2,(H,48,60)(H,49,61)(H,54,55)(H,56,57)(H,62,63)(H,64,65)(H2,46,47,66)(H,67,68,69)(H,70,71,72)/b52-37-,53-38-