CR-665 (Q5425398)

UNII-3BX9UG06GG (English)

14 October 2016

chemical formula

C₃₆H₄₉N₉O₄

1 reference

UNII-3BX9UG06GG (English)

14 October 2016

canonical SMILES

CCCCC(C(=O)NC(CCCN=C(N)N)C(=O)NCC1=CC=NC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

1 reference

UNII-3BX9UG06GG (English)

14 October 2016

isomeric SMILES

CCCC[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC1=CC=NC=C1)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=CC=C3)N

1 reference

UNII-3BX9UG06GG (English)

InChI=1S/C36H49N9O4/c1-2-3-15-30(34(48)43-29(16-10-19-41-36(38)39)33(47)42-24-27-17-20-40-21-18-27)44-35(49)31(23-26-13-8-5-9-14-26)45-32(46)28(37)22-25-11-6-4-7-12-25/h4-9,11-14,17-18,20-21,28-31H,2-3,10,15-16,19,22-24,37H2,1H3,(H,42,47)(H,43,48)(H,44,49)(H,45,46)(H4,38,39,41)/t28-,29-,30-,31-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-3BX9UG06GG (English)

DBOGGOVKHSCMNB-OMRVPHBLSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-3BX9UG06GG (English)

14 October 2016

1 reference

UNII

3BX9UG06GG

cr-665 (English)

14 October 2016

1 reference

CR665 (English)

14 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

UNII-3BX9UG06GG (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

6 July 2021

CAS no.: 228546-92-7 (English)

CR665 (English)

1 reference

Global Substance Registration System

UNII

3BX9UG06GG