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

Systemtic Name: (E)-2-formamido-6-methyl-4-(phenylmethoxymethyl)-5-phosphono-5-propan-2-yl-hept-3-enoic acid Openeye Name: (E)-4-(benzyloxymethyl)-2-formamido-5-isopropyl-6-methyl-5-phosphono-hept-3-enoic acid CAS Name: (E)-2-formamido-6-methyl-4-(phenylmethoxymethyl)-5-phosphono-5-propan-2-yl-3-heptenoic acid IUPAC Name: (E)-2-formamido-6-methyl-4-(phenylmethoxymethyl)-5-phosphono-5-propan-2-ylhept-3-enoic acid Traditional Name: (E)-4-(benzoxymethyl)-2-formamido-5-isopropyl-6-methyl-5-phosphono-hept-3-enoic acid Formula: C20H30NO7P MolecularWeight: 427.428461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)(C(=CC(C(=O)O)NC=O)COCC1=CC=CC=C1)P(=O)(O)O

Isomeric SMILES

CC(C)C(C(C)C)(/C(=C/C(C(=O)O)NC=O)/COCC1=CC=CC=C1)P(=O)(O)O

InChI

InChI=1S/C20H30NO7P/c1-14(2)20(15(3)4,29(25,26)27)17(10-18(19(23)24)21-13-22)12-28-11-16-8-6-5-7-9-16/h5-10,13-15,18H,11-12H2,1-4H3,(H,21,22)(H,23,24)(H2,25,26,27)/b17-10+