H34

(1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL

Created:	2011-09-14
Last modified:	2014-09-05

Find Related PDB Entry
1 entries where H34 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	56
Chiral Atom Count	2
Bond Count	60
Aromatic Bond Count	16

2D diagram of H34

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(1-{4-[(7S,11S)-12-AMINO-3-CHLORO-6,7,10,11-TETRAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN-9-YL]BUTYL}-1H-1,2,3-TRIAZOL-4-YL)METHANOL
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₂₃ H₂₆ Cl N₅ O
Molecular Weight	423.938
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc2ccc1c(N)c4c(nc1c2)CC5C=C(CCCCn3nnc(c3)CO)CC4C5
SMILES	CACTVS	3.385	Nc1c2ccc(Cl)cc2nc3C[CH]4C[CH](CC(=C4)CCCCn5cc(CO)nn5)c13
SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(cc1Cl)nc3c(c2N)C4CC(C3)C=C(C4)CCCCn5cc(nn5)CO
Canonical SMILES	CACTVS	3.385	Nc1c2ccc(Cl)cc2nc3C[C@@H]4C[C@@H](CC(=C4)CCCCn5cc(CO)nn5)c13
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc2c(cc1Cl)nc3c(c2N)[C@H]4C[C@@H](C3)C=C(C4)CCCCn5cc(nn5)CO
InChI	InChI	1.03	InChI=1S/C23H26ClN5O/c24-17-4-5-19-20(11-17)26-21-10-15-7-14(8-16(9-15)22(21)23(19)25)3-1-2-6-29-12-18(13-30)27-28-29/h4-5,7,11-12,15-16,30H,1-3,6,8-10,13H2,(H2,25,26)/t15-,16+/m0/s1
InChIKey	InChI	1.03	MHMXFYDLGYPRNA-JKSUJKDBSA-N

Related Resource References

Resource Name	Reference
PubChem	56851697

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.