TTT-3002 (Q27160137)

CHEBI:88219 (English)

9 October 2016

chemical formula

C₂₇H₂₃N₅O₃

1 reference

CHEBI:88219 (English)

9 October 2016

canonical SMILES

CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)NC)N

1 reference

CHEBI:88219 (English)

9 October 2016

isomeric SMILES

C[C@]12[C@](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)NC)N

1 reference

CHEBI:88219 (English)

InChI=1S/C27H23N5O3/c1-26-27(28,25(34)29-2)11-18(35-26)31-16-9-5-3-7-13(16)20-21-15(12-30-24(21)33)19-14-8-4-6-10-17(14)32(26)23(19)22(20)31/h3-10,18H,11-12,28H2,1-2H3,(H,29,34)(H,30,33)/t18-,26+,27-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

CHEBI:88219 (English)

DCAYZGCTSXLIHO-FYCNXDEQSA-N

9 October 2016

InChIKey

2 references

CHEBI:88219 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

2 references

CHEBI:88219 (English)

matched by identifier from

9 October 2016

InChIKey

DCAYZGCTSXLIHO-FYCNXDEQSA-N

ChEBI ID

88219

mapping relation type

2 references

TTT-3002 (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C27H23N5O3/c1-26-27(28,25(34)29-2)11-18(35-26)31-16-9-5-3-7-13(16)20-21-15(12-30-24(21)33)19-14-8-4-6-10-17(14)32(26)23(19)22(20)31/h3-10,18H,11-12,28H2,1-2H3,(H,29,34)(H,30,33)/t18-,26+,27-/m0/s1

1 reference

Guide to Pharmacology Ligand ID

11134

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY