(E)-2-azanyl-10-benzamido-4-(phosphonomethyl)dec-3-enoic acid

Systemtic Name: (E)-2-azanyl-10-benzamido-4-(phosphonomethyl)dec-3-enoic acid Openeye Name: (E)-2-amino-10-benzamido-4-(phosphonomethyl)dec-3-enoic acid CAS Name: (E)-2-amino-10-benzamido-4-(phosphonomethyl)-3-decenoic acid IUPAC Name: (E)-2-amino-10-benzamido-4-(phosphonomethyl)dec-3-enoic acid Traditional Name: (E)-2-amino-10-benzamido-4-(phosphonomethyl)dec-3-enoic acid Formula: C18H27N2O6P MolecularWeight: 398.390541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCCCCCC(=CC(C(=O)O)N)CP(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCCCCC/C(=C\C(C(=O)O)N)/CP(=O)(O)O

InChI

InChI=1S/C18H27N2O6P/c19-16(18(22)23)12-14(13-27(24,25)26)8-4-1-2-7-11-20-17(21)15-9-5-3-6-10-15/h3,5-6,9-10,12,16H,1-2,4,7-8,11,13,19H2,(H,20,21)(H,22,23)(H2,24,25,26)/b14-12+