(E)-2-azanyl-10-[(4-azido-2-oxidanyl-phenyl)carbonylamino]-4-(phosphonomethyl)dec-3-enoic acid

Systemtic Name: (E)-2-azanyl-10-[(4-azido-2-oxidanyl-phenyl)carbonylamino]-4-(phosphonomethyl)dec-3-enoic acid Openeye Name: (E)-2-amino-10-[(4-azido-2-hydroxy-benzoyl)amino]-4-(phosphonomethyl)dec-3-enoic acid CAS Name: (E)-2-amino-10-[[(4-azido-2-hydroxyphenyl)-oxomethyl]amino]-4-(phosphonomethyl)-3-decenoic acid IUPAC Name: (E)-2-amino-10-[(4-azido-2-hydroxybenzoyl)amino]-4-(phosphonomethyl)dec-3-enoic acid Traditional Name: (E)-2-amino-10-[(4-azido-2-hydroxy-benzoyl)amino]-4-(phosphonomethyl)dec-3-enoic acid Formula: C18H26N5O7P MolecularWeight: 455.402101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=[N+]=[N-])O)C(=O)NCCCCCCC(=CC(C(=O)O)N)CP(=O)(O)O

Isomeric SMILES

C1=CC(=C(C=C1N=[N+]=[N-])O)C(=O)NCCCCCC/C(=C\C(C(=O)O)N)/CP(=O)(O)O

InChI

InChI=1S/C18H26N5O7P/c19-15(18(26)27)9-12(11-31(28,29)30)5-3-1-2-4-8-21-17(25)14-7-6-13(22-23-20)10-16(14)24/h6-7,9-10,15,24H,1-5,8,11,19H2,(H,21,25)(H,26,27)(H2,28,29,30)/b12-9+