(Q27132382)

CHEBI:63099 (English)

7 October 2016

chemical formula

C₄₁H₆₂N₁₀O₉

1 reference

CHEBI:63099 (English)

7 October 2016

canonical SMILES

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)NCCCCC(C(=O)N)NC(=O)C(CCCCNC(=O)C(CCCCNC(=O)CCCCCNC(=O)C3=CC=C(O3)[N+](=O)[O-])N)N

1 reference

CHEBI:63099 (English)

InChI=1S/C41H62N10O9/c42-30(15-5-9-23-45-35(52)19-2-1-8-25-48-41(57)34-21-22-37(60-34)51(58)59)39(55)47-26-10-6-16-31(43)40(56)50-33(38(44)54)18-7-11-24-46-36(53)20-12-13-28-27-49-32-17-4-3-14-29(28)32/h3-4,14,17,21-22,27,30-31,33,49H,1-2,5-13,15-16,18-20,23-26,42-43H2,(H2,44,54)(H,45,52)(H,46,53)(H,47,55)(H,48,57)(H,50,56)

7 October 2016

Identifiers

InChI

1 reference

CHEBI:63099 (English)

VEWSWWXKWLILPJ-UHFFFAOYSA-N

7 October 2016

InChIKey

2 references

CHEBI:63099 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N~6~-(N~6~-{6-[(5-Nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl-N~6~-[4-(1H-indol-3-yl)butanoyl]lysinamide (English)

7 October 2016

2 references

CHEBI:63099 (English)

matched by identifier from

7 October 2016

InChIKey

VEWSWWXKWLILPJ-UHFFFAOYSA-N

ChEBI ID

63099

mapping relation type

2 references

N(6)-(N(6)-{6-[(5-nitro-2-furoyl)amino]hexanoyl}lysyl)lysyl-N(6)-[4-(indol-3-yl)butanoyl]lysinamide (English)

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C41H62N10O9/c42-30(15-5-9-23-45-35(52)19-2-1-8-25-48-41(57)34-21-22-37(60-34)51(58)59)39(55)47-26-10-6-16-31(43)40(56)50-33(38(44)54)18-7-11-24-46-36(53)20-12-13-28-27-49-32-17-4-3-14-29(28)32/h3-4,14,17,21-22,27,30-31,33,49H,1-2,5-13,15-16,18-20,23-26,42-43H2,(H2,44,54)(H,45,52)(H,46,53)(H,47,55)(H,48,57)(H,50,56)

1 reference

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

156564