Leu-met-ala | SBID = 1188 | Compound | Pubchem logo

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 147.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): -2.1
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): 3.0
3D Volume/Å3: 260.8
Sum Formula: C14H27N3O4S
M / g/mol: 333.45
Complexity: 390.0
Number of Conformers: 10.0

Identifiers

  • Tags: peptide
  • Name: Leu-met-ala
  • Preferred Abbreviation: Leu-met-ala
  • IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoic acid
  • CAS:
  • CID: 137333785
  • InChiKey: CPONGMJGVIAWEH-DCAQKATOSA-N
  • InChi: InChI=1S/C14H27N3O4S/c1-8(2)7-10(15)12(18)17-11(5-6-22-4)13(19)16-9(3)14(20)21/h8-11H,5-7,15H2,1-4H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-,11-/m0/s1
  • CanoSmiles: CC(C)CC(C(=O)NC(CCSC)C(=O)NC(C)C(=O)O)N
  • IsoSmiles: C[C@@H](C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)N