(Q27132383)

CHEBI:63100 (English)

7 October 2016

chemical formula

C₄₇H₇₄N₁₂O₁₀

1 reference

CHEBI:63100 (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)C(CCCCNC(=O)CCCCCNC(=O)C3=CC=C(O3)[N+](=O)[O-])N)N)N

1 reference

CHEBI:63100 (English)

InChI=1S/C47H74N12O10/c48-34(17-5-10-26-52-40(60)22-2-1-9-28-56-47(66)39-24-25-42(69-39)59(67)68)44(63)54-29-11-6-18-35(49)45(64)55-30-12-7-19-36(50)46(65)58-38(43(51)62)21-8-13-27-53-41(61)23-14-15-32-31-57-37-20-4-3-16-33(32)37/h3-4,16,20,24-25,31,34-36,38,57H,1-2,5-15,17-19,21-23,26-30,48-50H2,(H2,51,62)(H,52,60)(H,53,61)(H,54,63)(H,55,64)(H,56,66)(H,58,65)

7 October 2016

Identifiers

InChI

1 reference

CHEBI:63100 (English)

KPZWRGGWUNBLMX-UHFFFAOYSA-N

7 October 2016

InChIKey

2 references

CHEBI:63100 (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

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

7 October 2016

2 references

CHEBI:63100 (English)

matched by identifier from

7 October 2016

InChIKey

KPZWRGGWUNBLMX-UHFFFAOYSA-N

ChEBI ID

63100

mapping relation type

2 references

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

matched by identifier from

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C47H74N12O10/c48-34(17-5-10-26-52-40(60)22-2-1-9-28-56-47(66)39-24-25-42(69-39)59(67)68)44(63)54-29-11-6-18-35(49)45(64)55-30-12-7-19-36(50)46(65)58-38(43(51)62)21-8-13-27-53-41(61)23-14-15-32-31-57-37-20-4-3-16-33(32)37/h3-4,16,20,24-25,31,34-36,38,57H,1-2,5-15,17-19,21-23,26-30,48-50H2,(H2,51,62)(H,52,60)(H,53,61)(H,54,63)(H,55,64)(H,56,66)(H,58,65)

1 reference

1 reference

Immune Epitope Database and Analysis Resource

IEDB Epitope ID

156565