G0P

N-[(2S)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-D-galactopyranosyloxy)benzamide

Created:	2015-03-20
Last modified:	2015-09-09

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1 entries where G0P is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	69
Chiral Atom Count	6
Bond Count	71
Aromatic Bond Count	6

2D diagram of G0P

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Chemical Component Summary
Name	N-[(2S)-6-amino-1-oxo-1-(pyrrolidin-1-yl)hexan-2-yl]-4-(beta-D-galactopyranosyloxy)benzamide
Systematic Name (OpenEye OEToolkits)	N-[(2S)-6-azanyl-1-oxidanylidene-1-pyrrolidin-1-yl-hexan-2-yl]-4-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-benzamide
Formula	C₂₃ H₃₅ N₃ O₈
Molecular Weight	481.539
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C1CCCN1C(=O)C(CCCCN)NC(=O)c2ccc(cc2)OC3OC(CO)C(C(C3O)O)O
SMILES	CACTVS	3.385	NCCCC[CH](NC(=O)c1ccc(O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)cc1)C(=O)N3CCCC3
SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1C(=O)NC(CCCCN)C(=O)N2CCCC2)OC3C(C(C(C(O3)CO)O)O)O
Canonical SMILES	CACTVS	3.385	NCCCC[C@H](NC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)C(=O)N3CCCC3
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1cc(ccc1C(=O)N[C@@H](CCCCN)C(=O)N2CCCC2)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O
InChI	InChI	1.03	InChI=1S/C23H35N3O8/c24-10-2-1-5-16(22(32)26-11-3-4-12-26)25-21(31)14-6-8-15(9-7-14)33-23-20(30)19(29)18(28)17(13-27)34-23/h6-9,16-20,23,27-30H,1-5,10-13,24H2,(H,25,31)/t16-,17+,18-,19-,20+,23+/m0/s1
InChIKey	InChI	1.03	GCYOKNSMKQYQAG-YWAVYKJCSA-N

Related Resource References

Resource Name	Reference
PubChem	91864554

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.