(E)-2-formamido-6-methyl-4-(2-phenylmethoxyethyl)-5-phosphono-5-propan-2-yl-hept-3-enoic acid

Systemtic Name: (E)-2-formamido-6-methyl-4-(2-phenylmethoxyethyl)-5-phosphono-5-propan-2-yl-hept-3-enoic acid Openeye Name: (E)-4-(2-benzyloxyethyl)-2-formamido-5-isopropyl-6-methyl-5-phosphono-hept-3-enoic acid CAS Name: (E)-2-formamido-6-methyl-4-(2-phenylmethoxyethyl)-5-phosphono-5-propan-2-yl-3-heptenoic acid IUPAC Name: (E)-2-formamido-6-methyl-4-(2-phenylmethoxyethyl)-5-phosphono-5-propan-2-ylhept-3-enoic acid Traditional Name: (E)-4-(2-benzoxyethyl)-2-formamido-5-isopropyl-6-methyl-5-phosphono-hept-3-enoic acid Formula: C21H32NO7P MolecularWeight: 441.455041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)(C(=CC(C(=O)O)NC=O)CCOCC1=CC=CC=C1)P(=O)(O)O

Isomeric SMILES

CC(C)C(C(C)C)(/C(=C/C(C(=O)O)NC=O)/CCOCC1=CC=CC=C1)P(=O)(O)O

InChI

InChI=1S/C21H32NO7P/c1-15(2)21(16(3)4,30(26,27)28)18(12-19(20(24)25)22-14-23)10-11-29-13-17-8-6-5-7-9-17/h5-9,12,14-16,19H,10-11,13H2,1-4H3,(H,22,23)(H,24,25)(H2,26,27,28)/b18-12+