5-[bis(azanyl)methylideneamino]-2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylamino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[[3,5-bis(bromanyl)-4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonylamino]pentanoic acid Openeye Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]-5-guanidino-pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[[3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzoyl]amino]pentanoic acid Traditional Name: 2-[[3,5-dibromo-4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]amino]-5-guanidino-valeric acid Formula: C22H26Br2N4O5 MolecularWeight: 586.27364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C(=O)NC(CCCN=C(N)N)C(=O)O)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C(=O)NC(CCCN=C(N)N)C(=O)O)Br)O

InChI

InChI=1S/C22H26Br2N4O5/c1-11(2)14-10-13(5-6-18(14)29)33-19-15(23)8-12(9-16(19)24)20(30)28-17(21(31)32)4-3-7-27-22(25)26/h5-6,8-11,17,29H,3-4,7H2,1-2H3,(H,28,30)(H,31,32)(H4,25,26,27)