RU85493 (Q27093020)

ZINC53683375 (English)

{4-[2-acetylamino-2-(1-biphenyl-4-ylmethyl-2-oxo-azepan-3-ylcarbamoyl)-ethyl]-2-phosphono-phenoxy}-acetic acid

4 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₆N₃O₉P

1 reference

ZINC53683375 (English)

4 October 2016

canonical SMILES

CC(=O)NC(CC1=CC(=C(C=C1)OCC(=O)O)P(=O)(O)O)C(=O)NC2CCCCN(C2=O)CC3=CC=C(C=C3)C4=CC=CC=C4

1 reference

ZINC53683375 (English)

4 October 2016

isomeric SMILES

CC(=O)N[C@@H](CC1=CC(=C(C=C1)OCC(=O)O)P(=O)(O)O)C(=O)N[C@@H]2CCCCN(C2=O)CC3=CC=C(C=C3)C4=CC=CC=C4

1 reference

ZINC53683375 (English)

InChI=1S/C32H36N3O9P/c1-21(36)33-27(17-23-12-15-28(44-20-30(37)38)29(18-23)45(41,42)43)31(39)34-26-9-5-6-16-35(32(26)40)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,18,26-27H,5-6,9,16-17,19-20H2,1H3,(H,33,36)(H,34,39)(H,37,38)(H2,41,42,43)/t26-,27+/m1/s1

4 October 2016

Identifiers

InChI

1 reference

ZINC53683375 (English)

MWEWSHNGVWABKG-SXOMAYOGSA-N

4 October 2016

InChIKey

1 reference

ZINC53683375 (English)

4 October 2016

1 reference

{4-[(2S)-2-Acetamido-3-{[(3R)-1-(4-biphenylylmethyl)-2-oxo-3-azepanyl]amino}-3-oxopropyl]-2-phosphonophenoxy}acetic acid (English)

4 October 2016

2 references

ZINC53683375 (English)