(E)-2-formamido-8-(phenylmethoxycarbonylamino)-4-(3-phosphonopentan-3-yl)oct-3-enoic acid

Systemtic Name: (E)-2-formamido-8-(phenylmethoxycarbonylamino)-4-(3-phosphonopentan-3-yl)oct-3-enoic acid Openeye Name: (E)-8-(benzyloxycarbonylamino)-4-(1-ethyl-1-phosphono-propyl)-2-formamido-oct-3-enoic acid CAS Name: (E)-2-formamido-8-(phenylmethoxycarbonylamino)-4-(3-phosphonopentan-3-yl)-3-octenoic acid IUPAC Name: (E)-2-formamido-8-(phenylmethoxycarbonylamino)-4-(3-phosphonopentan-3-yl)oct-3-enoic acid Traditional Name: (E)-8-(benzyloxycarbonylamino)-4-(1-ethyl-1-phosphono-propyl)-2-formamido-oct-3-enoic acid Formula: C22H33N2O8P MolecularWeight: 484.479781

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=CC(C(=O)O)NC=O)CCCCNC(=O)OCC1=CC=CC=C1)P(=O)(O)O

Isomeric SMILES

CCC(CC)(/C(=C/C(C(=O)O)NC=O)/CCCCNC(=O)OCC1=CC=CC=C1)P(=O)(O)O

InChI

InChI=1S/C22H33N2O8P/c1-3-22(4-2,33(29,30)31)18(14-19(20(26)27)24-16-25)12-8-9-13-23-21(28)32-15-17-10-6-5-7-11-17/h5-7,10-11,14,16,19H,3-4,8-9,12-13,15H2,1-2H3,(H,23,28)(H,24,25)(H,26,27)(H2,29,30,31)/b18-14+