((S)-2-amino-3-(4-(aminomethyl)phenyl)propanoyl)-L-methionine | SBID = 1314 | 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: 4.0
Number of H-Bond Acceptors: 6.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C15H23N3O3S
M / g/mol: 325.42642
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide
  • Name: ((S)-2-amino-3-(4-(aminomethyl)phenyl)propanoyl)-L-methionine
  • Preferred Abbreviation: ((S)-2-amino-3-(4-(aminomethyl)phenyl)propanoyl)-L-methionine
  • IUPAC Name:
  • CAS:
  • CID: -456
  • InChiKey: JYDWOQDVWXCQOB-UHFFFAOYSA-N
  • InChi: InChI=1S/C15H23N3O3S/c1-22-7-6-13(15(20)21)18-14(19)12(17)8-10-2-4-11(9-16)5-3-10/h2-5,12-13H,6-9,16-17H2,1H3,(H,18,19)(H,20,21)
  • CanoSmiles: NCc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)O)CCSC)N
  • IsoSmiles: N[C@H](C(N[C@H](C(O)=O)CCSC)=O)CC1=CC=C(CN)C=C1