[(2S)-2-({3-[hydroxyl(2-phenyl-(1R)-1-{[(benzyloxy)[(2S)-2-({3-[hydroxyl(2-phenyl-(1R)-1-carbonyl]-amino}ethyl)phosphinyl]-2-[(3-phenylisoxazol-5-yl)methyl]-1-oxo-propyl}amino)-3-(4-hydroxy-phenyl) (Q27453761)

CHEMBL570953 (English)

N-{(2S)-3-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine

19 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₈H₃₈N₃O₉P

1 reference

CHEMBL570953 (English)

19 October 2016

canonical SMILES

C1=CC=C(C=C1)CC(NC(=O)OCC2=CC=CC=C2)P(=O)(CC(CC3=CC(=NO3)C4=CC=CC=C4)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)O)O

1 reference

CHEMBL570953 (English)

19 October 2016

isomeric SMILES

C1=CC=C(C=C1)C[C@H](NC(=O)OCC2=CC=CC=C2)P(=O)(C[C@H](CC3=CC(=NO3)C4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)O)O

1 reference

CHEMBL570953 (English)

InChI=1S/C38H38N3O9P/c42-31-18-16-27(17-19-31)20-34(37(44)45)39-36(43)30(22-32-23-33(41-50-32)29-14-8-3-9-15-29)25-51(47,48)35(21-26-10-4-1-5-11-26)40-38(46)49-24-28-12-6-2-7-13-28/h1-19,23,30,34-35,42H,20-22,24-25H2,(H,39,43)(H,40,46)(H,44,45)(H,47,48)/t30-,34-,35+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL570953 (English)

ZPFSKFCSVXPMBD-PFESQZPFSA-N

19 October 2016

InChIKey

1 reference

CHEMBL570953 (English)

19 October 2016

1 reference

N-{(2R)-3-{[(1R)-1-{[(Benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl}-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine (English)

19 October 2016

2 references