(2S)-2-((2S)-2-((2S)-2-(2-((3R)-2-amino-3-hydroxybutanamido)acetamido)propanamido)-3-phenylpropanamido)-4-methylpentanamide | SBID = 1248 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 8.0
Number of H-Bond Acceptors: 12.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C24H38N6O6
M / g/mol: 506.59512
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide
  • Name: (2S)-2-((2S)-2-((2S)-2-(2-((3R)-2-amino-3-hydroxybutanamido)acetamido)propanamido)-3-phenylpropanamido)-4-methylpentanamide
  • Preferred Abbreviation: (2S)-2-((2S)-2-((2S)-2-(2-((3R)-2-amino-3-hydroxybutanamido)acetamido)propanamido)-3-phenylpropanamido)-4-methylpentanamide
  • IUPAC Name:
  • CAS:
  • CID: -419
  • InChiKey: NKZAALSVJMBMBT-UHFFFAOYSA-N
  • InChi: InChI=1S/C24H38N6O6/c1-13(2)10-17(21(26)33)29-23(35)18(11-16-8-6-5-7-9-16)30-22(34)14(3)28-19(32)12-27-24(36)20(25)15(4)31/h5-9,13-15,17-18,20,31H,10-12,25H2,1-4H3,(H2,26,33)(H,27,36)(H,28,32)(H,29,35)(H,30,34)
  • CanoSmiles: CC(C[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)C([C@H](O)C)N)C)Cc1ccccc1)C
  • IsoSmiles: NC([C@@H](C)O)C(NCC(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(N)=O)=O)CC1=CC=CC=C1)=O)C)=O)=O