PG9

D-PHENYLGLYCINE

Created:	2005-10-07
Last modified:	2024-09-27

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1 entries where PG9 is found as a standalone ligand2 entries where PG9 is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	1
Bond Count	20
Aromatic Bond Count	6

2D diagram of PG9

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Chemical Component Summary
Name	D-PHENYLGLYCINE
Systematic Name (OpenEye OEToolkits)	(2R)-2-amino-2-phenyl-ethanoic acid
Formula	C₈ H₉ N O₂
Molecular Weight	151.163
Type	D-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)c1ccccc1
SMILES	CACTVS	3.341	N[CH](C(O)=O)c1ccccc1
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](C(O)=O)c1ccccc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)[C@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1
InChIKey	InChI	1.03	ZGUNAGUHMKGQNY-SSDOTTSWSA-N

Related Resource References

Resource Name	Reference
PubChem	6931075, 70134
ChEMBL	CHEMBL1403
ChEBI	CHEBI:77399, CHEBI:44962
CCDC/CSD	WIHJII, XALCOC01, NILXUB, RENKUQ, FAPMOZ, TEHYUA, UMUXAD, XALCOC, IROVEQ

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