UFY

N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide

Created:	2020-05-15
Last modified:	2024-09-27

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1 entries where UFY is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	2
Bond Count	54
Aromatic Bond Count	12

2D diagram of UFY

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Chemical Component Summary
Name	N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide
Systematic Name (OpenEye OEToolkits)	[(1~{R})-3-methyl-1-[[(2~{R})-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid
Formula	C₁₉ H₂₅ B N₄ O₄
Molecular Weight	384.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1cncc(n1)C(NC(Cc2ccccc2)C(=O)NC(CC(C)C)B(O)O)=O
SMILES	CACTVS	3.385	CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O
SMILES	OpenEye OEToolkits	2.0.7	B(C(CC(C)C)NC(=O)C(Cc1ccccc1)NC(=O)c2cnccn2)(O)O
Canonical SMILES	CACTVS	3.385	CC(C)C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O
Canonical SMILES	OpenEye OEToolkits	2.0.7	B([C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)c2cnccn2)(O)O
InChI	InChI	1.03	InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17+/m1/s1
InChIKey	InChI	1.03	GXJABQQUPOEUTA-WBVHZDCISA-N

Related Resource References

Resource Name	Reference
PubChem	59476170

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