PRD_002443

Summary

Program	Version	Name
OpenEye OEToolkits	2.0.7	(2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R})-6-[2-[[(5~{S})-5-acetamido-6-azanyl-6-oxidanylidene-hexyl]amino]-2-azanylidene-ethyl]sulfanyl-2-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxy-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES_CANONICAL	CACTVS	3.385	CC(=O)N[C@@H](CCCCNC(=N)CS[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)C(N)=O
SMILES	CACTVS	3.385	CC(=O)N[CH](CCCCNC(=N)CS[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](O[C]3(C[CH](O)[CH](NC(C)=O)[CH](O3)[CH](O)[CH](O)CO)C(O)=O)[CH]2O)[CH](O)[CH]1O)C(N)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O[C@H]2[C@H]([C@H](O[C@@H]([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)SCC(=N)NCCCC[C@@H](C(=O)N)NC(=O)C)CO)CO)O)O
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OC2C(C(OC(C2O)OC3C(OC(C(C3O)O)SCC(=N)NCCCCC(C(=O)N)NC(=O)C)CO)CO)O)O