C1=CC=C(C=C1)CC(C(=O)NCCC(=O)O)N
CAS: 54745-27-6
Name: 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoic acid
SMILES: C1=CC=C(C=C1)CC(C(=O)NCCC(=O)O)N

Molecular Processing

Molecular formula
C12H16N2O3
Molecular weight
236.27
Exact mass
236.1161
XLogP
0.15
TPSA
92.42
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
63.38

Supplementary Information

InChIKey: DJOQXEVNENIIIV-JTQLQIEISA-N
Synonyme
PHE-beta-ALA54745-27-6L-phenylalanyl-beta-alanineL-Phe-beta-Alaphenylalanyl-beta-alanineCHEBI:74710DTXSID10432217RefChem:368516DTXCID40383046H-Phe-|A-Ala-OHH-Phe-Beta-Ala-OH3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoic acidH-Phe--Ala-OH(S)-3-(2-Amino-3-phenylPropanamido)Propanoic acidSCHEMBL5498835CHEMBL2336913DJOQXEVNENIIIV-JTQLQIEISA-NFP108140Q27144849
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