compound 22 [PMID: 19899765] (Q27076440)

CHEMBL571153 (English)

3 October 2016

chemical formula

C₃₇H₃₈N₃O₇P

1 reference

CHEMBL571153 (English)

3 October 2016

canonical SMILES

C1=CC=C(C=C1)CC(CP(=O)(C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)O)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O

1 reference

CHEMBL571153 (English)

3 October 2016

isomeric SMILES

C1=CC=C(C=C1)C[C@H](NC(=O)OCC2=CC=CC=C2)P(=O)(CC(CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)O)O

1 reference

CHEMBL571153 (English)

InChI=1S/C37H38N3O7P/c41-35(39-33(36(42)43)22-29-23-38-32-19-11-10-18-31(29)32)30(20-26-12-4-1-5-13-26)25-48(45,46)34(21-27-14-6-2-7-15-27)40-37(44)47-24-28-16-8-3-9-17-28/h1-19,23,30,33-34,38H,20-22,24-25H2,(H,39,41)(H,40,44)(H,42,43)(H,45,46)/t30?,33-,34+/m0/s1

3 October 2016

Identifiers

InChI

1 reference

CHEMBL571153 (English)

WWTBZEKOSBFBEM-SPWPXUSOSA-N

3 October 2016

InChIKey

1 reference

CHEMBL571153 (English)

3 October 2016

1 reference

N-(2-Benzyl-3-{[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl}propanoyl)-L-tryptophan (English)

3 October 2016

2 references

CHEMBL571153 (English)

matched by identifier from

3 October 2016

InChIKey

WWTBZEKOSBFBEM-SPWPXUSOSA-N

1 reference

Guide to Pharmacology Ligand ID

CHEMBL571153 (English)

3 October 2016

1 reference

6562

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

6562

compound 22 [PMID: 19899765] (English)