SFE

(3S)-3-amino-3-phenylpropanoic acid

Created: 2011-05-30
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count1
Bond Count23
Aromatic Bond Count6
2D diagram of SFE

Chemical Component Summary

Name(3S)-3-amino-3-phenylpropanoic acid
SynonymsS-BETA-PHENYLALANINE
Systematic Name (OpenEye OEToolkits)3-azanyl-3-phenyl-propanoic acid
FormulaC9 H11 N O2
Molecular Weight165.189
TypePEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(O)CC(N)c1ccccc1
SMILESCACTVS3.370N[CH](CC(O)=O)c1ccccc1
SMILESOpenEye OEToolkits1.7.2c1ccc(cc1)C(CC(=O)O)N
Canonical SMILESCACTVS3.370 N[C@@H](CC(O)=O)c1ccccc1
Canonical SMILESOpenEye OEToolkits1.7.2 c1ccc(cc1)C(CC(=O)O)N
InChIInChI1.03 InChI=1S/C9H11NO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyInChI1.03 UJOYFRCOTPUKAK-QMMMGPOBSA-N

Related Resource References

Resource NameReference
PubChem 6921435, 686704
ChEBI CHEBI:68525, CHEBI:68506