sodium (E)-2-azanyl-10-[(4-azido-3-iodanyl-2-oxidanyl-phenyl)carbonylamino]-4-(phosphonomethyl)dec-3-enoate

Systemtic Name: sodium (E)-2-azanyl-10-[(4-azido-3-iodanyl-2-oxidanyl-phenyl)carbonylamino]-4-(phosphonomethyl)dec-3-enoate Openeye Name: sodium (E)-2-amino-10-[(4-azido-2-hydroxy-3-iodo-benzoyl)amino]-4-(phosphonomethyl)dec-3-enoate CAS Name: sodium (E)-2-amino-10-[[(4-azido-2-hydroxy-3-iodophenyl)-oxomethyl]amino]-4-(phosphonomethyl)-3-decenoate IUPAC Name: sodium (E)-2-amino-10-[(4-azido-2-hydroxy-3-iodobenzoyl)amino]-4-(phosphonomethyl)dec-3-enoate Traditional Name: sodium (E)-2-amino-10-[(4-azido-2-hydroxy-3-iodo-benzoyl)amino]-4-(phosphonomethyl)dec-3-enoate Formula: C18H24IN5NaO7P MolecularWeight: 603.280461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(=O)NCCCCCCC(=CC(C(=O)[O-])N)CP(=O)(O)O)O)I)N=[N+]=[N-].[Na+]

Isomeric SMILES

C1=CC(=C(C(=C1C(=O)NCCCCCC/C(=C\C(C(=O)[O-])N)/CP(=O)(O)O)O)I)N=[N+]=[N-].[Na+]

InChI

InChI=1S/C18H25IN5O7P.Na/c19-15-14(23-24-21)7-6-12(16(15)25)17(26)22-8-4-2-1-3-5-11(10-32(29,30)31)9-13(20)18(27)28;/h6-7,9,13,25H,1-5,8,10,20H2,(H,22,26)(H,27,28)(H2,29,30,31);/q;+1/p-1/b11-9+;