TCS2314 (Q27088949)

CHEMBL389946 (English)

3 October 2016

chemical formula

C₂₈H₃₄N₄O₆

1 reference

CHEMBL389946 (English)

3 October 2016

canonical SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N3CCOCC3C(=O)N4CCC(CC4)CC(=O)O

1 reference

CHEMBL389946 (English)

3 October 2016

isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)CC(=O)N3CCOC[C@H]3C(=O)N4CCC(CC4)CC(=O)O

1 reference

CHEMBL389946 (English)

InChI=1S/C28H34N4O6/c1-19-4-2-3-5-23(19)30-28(37)29-22-8-6-20(7-9-22)16-25(33)32-14-15-38-18-24(32)27(36)31-12-10-21(11-13-31)17-26(34)35/h2-9,21,24H,10-18H2,1H3,(H,34,35)(H2,29,30,37)/t24-/m0/s1

3 October 2016

Identifiers

InChI

1 reference

CHEMBL389946 (English)

ITXAAOWFOURIHK-DEOSSOPVSA-N

3 October 2016

InChIKey

1 reference

CHEMBL389946 (English)

3 October 2016

1 reference

[1-({(3S)-4-[(4-{[(2-Methylphenyl)carbamoyl]amino}phenyl)acetyl]-3-morpholinyl}carbonyl)-4-piperidinyl]acetic acid (English)

3 October 2016

2 references

CHEMBL389946 (English)

matched by identifier from

3 October 2016

InChIKey

ITXAAOWFOURIHK-DEOSSOPVSA-N

1 reference

Guide to Pharmacology Ligand ID

CHEMBL389946 (English)

3 October 2016

1 reference

6590

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

6590