DH9

(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-2-HEXYL-3-HYDROXYHEXADECANOIC ACID

Created:	2007-06-06
Last modified:	2024-09-27

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2 entries where DH9 is found as a standalone ligand3 entries where DH9 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	91
Chiral Atom Count	4
Bond Count	90
Aromatic Bond Count	0

2D diagram of DH9

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Chemical Component Summary
Name	(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-2-HEXYL-3-HYDROXYHEXADECANOIC ACID
Systematic Name (OpenEye OEToolkits)	(2S,3S,5S)-5-[(2S)-2-formamido-4-methyl-pentanoyl]oxy-2-hexyl-3-hydroxy-hexadecanoic acid
Formula	C₂₉ H₅₅ N O₆
Molecular Weight	513.75
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OC(CC(O)C(C(=O)O)CCCCCC)CCCCCCCCCCC)C(NC=O)CC(C)C
SMILES	CACTVS	3.341	CCCCCCCCCCC[CH](C[CH](O)[CH](CCCCCC)C(O)=O)OC(=O)[CH](CC(C)C)NC=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCC(CC(C(CCCCCC)C(=O)O)O)OC(=O)C(CC(C)C)NC=O
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCC[C@@H](C[C@H](O)[C@H](CCCCCC)C(O)=O)OC(=O)[C@H](CC(C)C)NC=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCC[C@@H](C[C@@H]([C@H](CCCCCC)C(=O)O)O)OC(=O)[C@H](CC(C)C)NC=O
InChI	InChI	1.03	InChI=1S/C29H55NO6/c1-5-7-9-11-12-13-14-15-16-18-24(36-29(35)26(30-22-31)20-23(3)4)21-27(32)25(28(33)34)19-17-10-8-6-2/h22-27,32H,5-21H2,1-4H3,(H,30,31)(H,33,34)/t24-,25-,26-,27-/m0/s1
InChIKey	InChI	1.03	FKUNIADJSAJLGB-FWEHEUNISA-N

Related Resource References

Resource Name	Reference
PubChem	14607536

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