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Summary Geometry Related PDB entries

A1L4W

Summary

Name:	[(1~{S})-4-oxidanylidene-4-[oxidanyl(2-phenylethyl)amino]-1-phenyl-butyl]phosphonic acid
Formula:	C18 H22 N O5 P
Formal charge:	0
Formula weight:	363.345 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
OpenEye OEToolkits	2.0.7	[(1~{S})-4-oxidanylidene-4-[oxidanyl(2-phenylethyl)amino]-1-phenyl-butyl]phosphonic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C18H22NO5P/c20-18(19(21)14-13-15-7-3-1-4-8-15)12-11-17(25(22,23)24)16-9-5-2-6-10-16/h1-10,17,21H,11-14H2,(H2,22,23,24)/t17-/m0/s1
InChIKey	InChI	1.06	WKIFTRBJCIJURK-KRWDZBQOSA-N
SMILES_CANONICAL	CACTVS	3.385	ON(CCc1ccccc1)C(=O)CC[C@@H](c2ccccc2)[P](O)(O)=O
SMILES	CACTVS	3.385	ON(CCc1ccccc1)C(=O)CC[CH](c2ccccc2)[P](O)(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CCN(C(=O)CC[C@@H](c2ccccc2)P(=O)(O)O)O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)CCN(C(=O)CCC(c2ccccc2)P(=O)(O)O)O

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