(Q27286458)

UNII-PBO72T5W4V (English)

14 October 2016

chemical formula

C₄₆H₅₄N₈O₁₂S₂

1 reference

UNII-PBO72T5W4V (English)

14 October 2016

canonical SMILES

CC(C)(COC(=O)C1=CN=CC=C1)C(C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(C(C)(C)COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4

1 reference

UNII-PBO72T5W4V (English)

14 October 2016

isomeric SMILES

CC(C)(COC(=O)C1=CN=CC=C1)[C@H](C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4

1 reference

UNII-PBO72T5W4V (English)

InChI=1S/C46H54N8O12S2/c1-45(2,29-63-41(59)31-9-5-15-47-25-31)37(65-43(61)33-11-7-17-49-27-33)39(57)53-19-13-35(55)51-21-23-67-68-24-22-52-36(56)14-20-54-40(58)38(66-44(62)34-12-8-18-50-28-34)46(3,4)30-64-42(60)32-10-6-16-48-26-32/h5-12,15-18,25-28,37-38H,13-14,19-24,29-30H2,1-4H3,(H,51,55)(H,52,56)(H,53,57)(H,54,58)/t37-,38-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

UNII-PBO72T5W4V (English)

MEFAKOINNJLWFO-UWXQCODUSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-PBO72T5W4V (English)

14 October 2016

1 reference

UNII

PBO72T5W4V

derpanicate (English)

14 October 2016

1 reference

Derpanicate (English)

14 October 2016

1 reference

UNII-PBO72T5W4V (English)

14 October 2016

1 reference

DSSTOX compound identifier

DERPANICATE (English)

14 October 2016

1 reference

0 references

0 references

1 reference

Global Substance Registration System

UNII

PBO72T5W4V

derpanicate (English)