(Q27158458)

Biocytinamide (English)

19 October 2016

chemical formula

C₁₆H₂₉N₅O₃S

1 reference

Biocytinamide (English)

19 October 2016

canonical SMILES

C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)N)N)NC(=O)N2

1 reference

Biocytinamide (English)

19 October 2016

isomeric SMILES

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCC[C@@H](C(=O)N)N)NC(=O)N2

1 reference

Biocytinamide (English)

InChI=1S/C16H29N5O3S/c17-10(15(18)23)5-3-4-8-19-13(22)7-2-1-6-12-14-11(9-25-12)20-16(24)21-14/h10-12,14H,1-9,17H2,(H2,18,23)(H,19,22)(H2,20,21,24)/t10-,11-,12-,14-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

Biocytinamide (English)

19 October 2016

2 references

Biocytinamide (English)

19 October 2016

stated in

ChEBI release 2020-09-01

2 references

biocytinamide (English)

19 October 2016

https://commonchemistry.cas.org/detail?cas_rn=61125-53-9

8 April 2021

1 reference

N~6~-{5-[(3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysinamide (English)

19 October 2016

2 references

Biocytinamide (English)

matched by identifier from

19 October 2016

ChEBI ID

85290

mapping relation type

2 references

biocytinamide (English)

matched by identifier from

19 October 2016

International Chemical Identifier

InChI

InChI=1S/C16H29N5O3S/c17-10(15(18)23)5-3-4-8-19-13(22)7-2-1-6-12-14-11(9-25-12)20-16(24)21-14/h10-12,14H,1-9,17H2,(H2,18,23)(H,19,22)(H2,20,21,24)/t10-,11-,12-,14-/m0/s1

1 reference

2 references

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

matched by identifier from

DSSTOX compound identifier

0 references

1 reference

Immune Epitope Database and Analysis Resource

1 March 2022

0 references

1 reference

4S1D (English)