2-[(3Z)-5-[5-(2-azanyl-2-oxidanylidene-ethyl)-3-bromanyl-2-oxidanyl-phenyl]-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]butanedioic acid

Systemtic Name: 2-[(3Z)-5-[5-(2-azanyl-2-oxidanylidene-ethyl)-3-bromanyl-2-oxidanyl-phenyl]-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]butanedioic acid Openeye Name: 2-[(3Z)-5-[5-(2-amino-2-oxo-ethyl)-3-bromo-2-hydroxy-phenyl]-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]butanedioic acid CAS Name: 2-[(3Z)-5-[5-(2-amino-2-oxoethyl)-3-bromo-2-hydroxyphenyl]-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]butanedioic acid IUPAC Name: 2-[(3Z)-5-[5-(2-amino-2-oxoethyl)-3-bromo-2-hydroxyphenyl]-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]butanedioic acid Traditional Name: 2-[(3Z)-3-(5-amidino-1,3-dihydrobenzimidazol-2-ylidene)-5-[5-(2-amino-2-keto-ethyl)-3-bromo-2-hydroxy-phenyl]-4-keto-cyclohexa-1,5-dien-1-yl]succinic acid Formula: C26H22BrN5O7 MolecularWeight: 596.38618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=N)N)NC(=C3C=C(C=C(C3=O)C4=CC(=CC(=C4O)Br)CC(=O)N)C(CC(=O)O)C(=O)O)N2

Isomeric SMILES

C1=CC2=C(C=C1C(=N)N)N/C(=C\3/C=C(C=C(C3=O)C4=CC(=CC(=C4O)Br)CC(=O)N)C(CC(=O)O)C(=O)O)/N2

InChI

InChI=1S/C26H22BrN5O7/c27-17-4-10(5-20(28)33)3-14(23(17)37)15-6-12(13(26(38)39)9-21(34)35)7-16(22(15)36)25-31-18-2-1-11(24(29)30)8-19(18)32-25/h1-4,6-8,13,31-32,37H,5,9H2,(H2,28,33)(H3,29,30)(H,34,35)(H,38,39)/b25-16-