(E)-4-methyl-2-[(phenylmethyl)amino]-5-phosphono-pent-3-enoic acid

Systemtic Name: (E)-4-methyl-2-[(phenylmethyl)amino]-5-phosphono-pent-3-enoic acid Openeye Name: (E)-2-(benzylamino)-4-methyl-5-phosphono-pent-3-enoic acid CAS Name: (E)-4-methyl-2-[(phenylmethyl)amino]-5-phosphono-3-pentenoic acid IUPAC Name: (E)-2-(benzylamino)-4-methyl-5-phosphonopent-3-enoic acid Traditional Name: (E)-2-(benzylamino)-4-methyl-5-phosphono-pent-3-enoic acid Formula: C13H18NO5P MolecularWeight: 299.259481

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(C(=O)O)NCC1=CC=CC=C1)CP(=O)(O)O

Isomeric SMILES

C/C(=C\C(C(=O)O)NCC1=CC=CC=C1)/CP(=O)(O)O

InChI

InChI=1S/C13H18NO5P/c1-10(9-20(17,18)19)7-12(13(15)16)14-8-11-5-3-2-4-6-11/h2-7,12,14H,8-9H2,1H3,(H,15,16)(H2,17,18,19)/b10-7+