7LM

N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide

Created:	2016-11-14
Last modified:	2017-09-20

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2 entries where 7LM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	109
Chiral Atom Count	8
Bond Count	110
Aromatic Bond Count	6

2D diagram of 7LM

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Chemical Component Summary
Name	N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxy-16-phenylhexadecan-2-yl]octanamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(2~{S},3~{S},4~{R})-1-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-16-phenyl-hexadecan-2-yl]octanamide
Formula	C₃₆ H₆₃ N O₉
Molecular Weight	653.887
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1(OC(C(O)C(C1O)O)OCC(NC(CCCCCCC)=O)C(O)C(O)CCCCCCCCCCCCc2ccccc2)CO
SMILES	CACTVS	3.385	CCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH](O)CCCCCCCCCCCCc2ccccc2
SMILES	OpenEye OEToolkits	2.0.6	CCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCCCCCCCCCc2ccccc2)O)O
Canonical SMILES	CACTVS	3.385	CCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCCCCCCCCCCc2ccccc2)O)O
InChI	InChI	1.03	InChI=1S/C36H63NO9/c1-2-3-4-11-19-24-31(40)37-28(26-45-36-35(44)34(43)33(42)30(25-38)46-36)32(41)29(39)23-18-13-10-8-6-5-7-9-12-15-20-27-21-16-14-17-22-27/h14,16-17,21-22,28-30,32-36,38-39,41-44H,2-13,15,18-20,23-26H2,1H3,(H,37,40)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1
InChIKey	InChI	1.03	YDGPBAWHWVHKQP-QNAIHFNASA-N

Related Resource References

Resource Name	Reference
PubChem	129900335
ChEBI	CHEBI:139113

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