(E)-4-methyl-2-(2-phenylethanoylamino)-5-phosphono-pent-3-enoic acid

Systemtic Name: (E)-4-methyl-2-(2-phenylethanoylamino)-5-phosphono-pent-3-enoic acid Openeye Name: (E)-4-methyl-2-[(2-phenylacetyl)amino]-5-phosphono-pent-3-enoic acid CAS Name: (E)-4-methyl-2-[(1-oxo-2-phenylethyl)amino]-5-phosphono-3-pentenoic acid IUPAC Name: (E)-4-methyl-2-[(2-phenylacetyl)amino]-5-phosphonopent-3-enoic acid Traditional Name: (E)-4-methyl-2-[(2-phenylacetyl)amino]-5-phosphono-pent-3-enoic acid Formula: C14H18NO6P MolecularWeight: 327.269581

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(C(=O)O)NC(=O)CC1=CC=CC=C1)CP(=O)(O)O

Isomeric SMILES

C/C(=C\C(C(=O)O)NC(=O)CC1=CC=CC=C1)/CP(=O)(O)O

InChI

InChI=1S/C14H18NO6P/c1-10(9-22(19,20)21)7-12(14(17)18)15-13(16)8-11-5-3-2-4-6-11/h2-7,12H,8-9H2,1H3,(H,15,16)(H,17,18)(H2,19,20,21)/b10-7+