HPE

HOMOPHENYLALANINE

Created:	1999-07-08
Last modified:	2024-09-27

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4 entries where HPE is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	6

2D diagram of HPE

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Chemical Component Summary
Name	HOMOPHENYLALANINE
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-4-phenyl-butanoic acid
Formula	C₁₀ H₁₃ N O₂
Molecular Weight	179.216
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C(N)CCc1ccccc1
SMILES	CACTVS	3.341	N[CH](CCc1ccccc1)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CCC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](CCc1ccccc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)CC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C10H13NO2/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChIKey	InChI	1.03	JTTHKOPSMAVJFE-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
PubChem	2724505, 6950300
ChEMBL	CHEMBL1233389
ChEBI	CHEBI:43103

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