PRD_002449

Summary

Program	Version	Name
OpenEye OEToolkits	2.0.7	(3~{S})-3-[[(2~{S})-2-[[(3~{R})-3-[[(2~{S})-2-[[(2~{S})-2-acetamido-3-pyridin-3-yl-propanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-5-methyl-hexanoyl]amino]-3-phenyl-propanoyl]amino]-5-(2,6-dimethylphenyl)carbonyloxy-4-oxidanylidene-pentanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES_CANONICAL	CACTVS	3.385	CC(C)C[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c2c(C)cccc2C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc3cccnc3)NC(C)=O
SMILES	CACTVS	3.385	CC(C)C[CH](CC(=O)N[CH](Cc1ccccc1)C(=O)N[CH](CC(O)=O)C(=O)COC(=O)c2c(C)cccc2C)NC(=O)[CH](CC(O)=O)NC(=O)[CH](Cc3cccnc3)NC(C)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1cccc(c1C(=O)OCC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3cccnc3)NC(=O)C)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1cccc(c1C(=O)OCC(=O)C(CC(=O)O)NC(=O)C(Cc2ccccc2)NC(=O)CC(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(Cc3cccnc3)NC(=O)C)C