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Summary Geometry Related PDB entries

S0Z

Summary

Name:	methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate
Synonyms:	methyl (2R)-2-[(1-oxidanyl-3H-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate
Formula:	C17 H16 B N O5
Formal charge:	0
Formula weight:	325.124 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	methyl (2~{R})-2-[(1-oxidanyl-3~{H}-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C17H16BNO5/c1-23-17(21)15(11-5-3-2-4-6-11)19-16(20)12-7-8-13-10-24-18(22)14(13)9-12/h2-9,15,22H,10H2,1H3,(H,19,20)/t15-/m1/s1
InChIKey	InChI	1.03	QLGLQJGWGVNAIY-OAHLLOKOSA-N
SMILES_CANONICAL	CACTVS	3.385	COC(=O)[C@H](NC(=O)c1ccc2COB(O)c2c1)c3ccccc3
SMILES	CACTVS	3.385	COC(=O)[CH](NC(=O)c1ccc2COB(O)c2c1)c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	B1(c2cc(ccc2CO1)C(=O)N[C@H](c3ccccc3)C(=O)OC)O
SMILES	OpenEye OEToolkits	2.0.7	B1(c2cc(ccc2CO1)C(=O)NC(c3ccccc3)C(=O)OC)O

220113

PDB entries from 2024-05-22

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