(E)-2-formamido-6-methyl-4-[2-(phenylcarbonyloxy)ethyl]-5-phosphono-5-propan-2-yl-hept-3-enoic acid

Systemtic Name: (E)-2-formamido-6-methyl-4-[2-(phenylcarbonyloxy)ethyl]-5-phosphono-5-propan-2-yl-hept-3-enoic acid Openeye Name: (E)-4-(2-benzoyloxyethyl)-2-formamido-5-isopropyl-6-methyl-5-phosphono-hept-3-enoic acid CAS Name: (E)-4-(2-benzoyloxyethyl)-2-formamido-6-methyl-5-phosphono-5-propan-2-yl-3-heptenoic acid IUPAC Name: (E)-4-(2-benzoyloxyethyl)-2-formamido-6-methyl-5-phosphono-5-propan-2-ylhept-3-enoic acid Traditional Name: (E)-4-(2-benzoyloxyethyl)-2-formamido-5-isopropyl-6-methyl-5-phosphono-hept-3-enoic acid Formula: C21H30NO8P MolecularWeight: 455.438561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30NO8P/c1-14(2)21(15(3)4,31(27,28)29)17(12-18(19(24)25)22-13-23)10-11-30-20(26)16-8-6-5-7-9-16/h5-9,12-15,18H,10-11H2,1-4H3,(H,22,23)(H,24,25)(H2,27,28,29)/b17-12+