Lys-met-ala | SBID = 1189 | Compound | Pubchem logo

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2: 173.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): -3.1
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 5.0
Number of H-Bond Acceptors: 7.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 3.0
3D Volume/Å3: 270.4
Sum Formula: C14H28N4O4S
M / g/mol: 348.46
Complexity: 395.0
Number of Conformers: 10.0

Identifiers

  • Tags: peptide
  • Name: Lys-met-ala
  • Preferred Abbreviation: Lys-met-ala
  • IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoic acid
  • CAS:
  • CID: 145456723
  • InChiKey: URGPVYGVWLIRGT-DCAQKATOSA-N
  • InChi: InChI=1S/C14H28N4O4S/c1-9(14(21)22)17-13(20)11(6-8-23-2)18-12(19)10(16)5-3-4-7-15/h9-11H,3-8,15-16H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)/t9-,10-,11-/m0/s1
  • CanoSmiles: CC(C(=O)O)NC(=O)C(CCSC)NC(=O)C(CCCCN)N
  • IsoSmiles: C[C@@H](C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)N