(Q27276207)

SCHEMBL6439742 (English)

14 October 2016

chemical formula

C₂₉H₃₃Cl₂N₃O₄S

1 reference

SCHEMBL6439742 (English)

14 October 2016

canonical SMILES

C1CC(CN(C1)C2=CC=CC=C2SC3=C(C(=C(C=C3)C4CC4C(=O)NCCCN5CCCC5=O)Cl)Cl)C(=O)O

1 reference

SCHEMBL6439742 (English)

14 October 2016

isomeric SMILES

C1CC(CN(C1)C2=CC=CC=C2SC3=C(C(=C(C=C3)[C@@H]4C[C@H]4C(=O)NCCCN5CCCC5=O)Cl)Cl)C(=O)O

1 reference

SCHEMBL6439742 (English)

InChI=1S/C29H33Cl2N3O4S/c30-26-19(20-16-21(20)28(36)32-12-5-15-33-13-4-9-25(33)35)10-11-24(27(26)31)39-23-8-2-1-7-22(23)34-14-3-6-18(17-34)29(37)38/h1-2,7-8,10-11,18,20-21H,3-6,9,12-17H2,(H,32,36)(H,37,38)/t18?,20-,21+/m0/s1

14 October 2016

Identifiers

InChI

1 reference

SCHEMBL6439742 (English)

CYHYOQQJILLXPV-QYAPWVIVSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

SCHEMBL6439742 (English)

14 October 2016

1 reference

UNII

D7D824204H

a-324920 (English)

14 October 2016

1 reference

1-[2-({2,3-Dichloro-4-[(1R,2R)-2-{[3-(2-oxo-1-pyrrolidinyl)propyl]carbamoyl}cyclopropyl]phenyl}sulfanyl)phenyl]-3-piperidinecarboxylic acid (English)

14 October 2016

1 reference

Global Substance Registration System

SCHEMBL6439742 (English)

14 October 2016

1 reference

1 reference

UNII

D7D824204H

a-324920 (English)