1-((((R)-1-(3-((S)-1-(((1-(carboxymethyl)cyclopropyl)methyl)thio)-2-(7-chloroquinolin-2-yl)ethyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)thio)methyl)cyclopropanecarboxylic acid (Q27258256)

UNII-3ZL34OH94C (English)

1-((((R)-1-(3-((R)-1-(((1-(carboxymethyl)cyclopropyl)methyl)thio)-2-(7-chloroquinolin-2-yl)ethyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)thio)methyl)cyclopropanecarboxylic acid

14 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₀H₄₄ClNO₅S₂

1 reference

UNII-3ZL34OH94C (English)

14 October 2016

canonical SMILES

CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C(CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)SCC6(CC6)C(=O)O)O

1 reference

UNII-3ZL34OH94C (English)

14 October 2016

isomeric SMILES

CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)[C@H](CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)SCC6(CC6)C(=O)O)O

1 reference

UNII-3ZL34OH94C (English)

InChI=1S/C40H44ClNO5S2/c1-38(2,47)32-9-4-3-6-26(32)12-15-34(49-25-40(18-19-40)37(45)46)28-7-5-8-29(20-28)35(48-24-39(16-17-39)23-36(43)44)22-31-14-11-27-10-13-30(41)21-33(27)42-31/h3-11,13-14,20-21,34-35,47H,12,15-19,22-25H2,1-2H3,(H,43,44)(H,45,46)/t34-,35+/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-3ZL34OH94C (English)

AKJXJILNGDPWRI-GPOMZPHUSA-N

14 October 2016

InChIKey

1 reference

UNII-3ZL34OH94C (English)

14 October 2016

1 reference

1-[({(1R)-1-{3-[(1S)-1-({[1-(Carboxymethyl)cyclopropyl]methyl}sulfanyl)-2-(7-chloro-2-quinolinyl)ethyl]phenyl}-3-[2-(2-hydroxy-2-propanyl)phenyl]propyl}sulfanyl)methyl]cyclopropanecarboxylic acid (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-3ZL34OH94C (English)

14 October 2016

1 reference

1 reference

UNII

3ZL34OH94C