thymotrinan (Q27254434)

Thymotrinan (English)

14 October 2016

chemical formula

C₁₆H₃₁N₇O₆

1 reference

Thymotrinan (English)

14 October 2016

canonical SMILES

C(CCN)CC(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CCCN=C(N)N)N

1 reference

Thymotrinan (English)

14 October 2016

isomeric SMILES

C(CCN)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)N

1 reference

Thymotrinan (English)

InChI=1S/C16H31N7O6/c17-6-2-1-5-10(14(27)23-11(15(28)29)8-12(24)25)22-13(26)9(18)4-3-7-21-16(19)20/h9-11H,1-8,17-18H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)(H4,19,20,21)/t9-,10-,11-/m0/s1

14 October 2016

Identifiers

InChI

1 reference

Thymotrinan (English)

14 October 2016

1 reference

Global Substance Registration System

Thymotrinan (English)

14 October 2016

2 references

UNII

29OE04A6C9

thymotrinan (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=85465-82-3

10 April 2021

1 reference

N-(N2-L-Arginyl-L-lysyl)-L-aspartic acid (English)

14 October 2016

2 references

Thymotrinan (English)

14 October 2016

ChEBI ID

159125

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C16H31N7O6/c17-6-2-1-5-10(14(27)23-11(15(28)29)8-12(24)25)22-13(26)9(18)4-3-7-21-16(19)20/h9-11H,1-8,17-18H2,(H,22,26)(H,23,27)(H,24,25)(H,28,29)(H4,19,20,21)/t9-,10-,11-/m0/s1

1 reference

THYMOTRINAN (English)

14 October 2016

2 references

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

29OE04A6C9

thymotrinan (English)

14 October 2016