L-Aspartyl-L-phenylalanine | SBID = 1940 | Compound | Pubchem logo

Struc Structure

Download Image Download CDX

Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 130.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): -3.3
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 4.0
Number of H-Bond Acceptors: 6.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 2.0
3D Volume/Å3: 211.8
Sum Formula: C13H16N2O5
M / g/mol: 280.28
Complexity: 366.0
Number of Conformers: 10.0

Identifiers

  • Tags: typical guest, amino acid
  • Name: L-Aspartyl-L-phenylalanine
  • Preferred Abbreviation: L-Asp-L-Phe
  • IUPAC Name: (3S)-3-amino-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
  • CAS: 13433-09-5
  • CID: 93078
  • InChiKey: YZQCXOFQZKCETR-UWVGGRQHSA-N
  • InChi: InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1
  • CanoSmiles: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)N
  • IsoSmiles: C1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N