(Q27125156)

CHEBI:58059 (English)

6 October 2016

chemical formula

C₂₁H₂₈N₇O⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC(C)C(=O)NC1=NC=C(N=C1CCC[NH+]=C(N)N)C2=CNC3=CC=CC=C32

1 reference

CHEBI:58059 (English)

6 October 2016

isomeric SMILES

CC[C@H](C)C(=O)NC1=NC=C(N=C1CCC[NH+]=C(N)N)C2=CNC3=CC=CC=C32

1 reference

CHEBI:58059 (English)

InChI=1S/C21H27N7O/c1-3-13(2)20(29)28-19-17(9-6-10-24-21(22)23)27-18(12-26-19)15-11-25-16-8-5-4-7-14(15)16/h4-5,7-8,11-13,25H,3,6,9-10H2,1-2H3,(H4,22,23,24)(H,26,28,29)/p+1/t13-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

CHEBI:58059 (English)

PSYJEEMZZIZTSR-ZDUSSCGKSA-O

6 October 2016

InChIKey

2 references

CHEBI:58059 (English)

6 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Imino({3-[6-(1H-indol-3-yl)-3-{[(2S)-2-methylbutanoyl]amino}-2-pyrazinyl]propyl}amino)methanaminium (English)

6 October 2016

1 reference

CHEBI:58059 (English)

6 October 2016

ChEBI ID

58059

mapping relation type

1 reference