L-methionyl-L-leucylglycylglycyl-L-tyrosine | SBID = 1191 | 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: 7.0
Number of H-Bond Acceptors: 12.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C24H37N5O7S
M / g/mol: 539.64488
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: L-methionyl-L-leucylglycylglycyl-L-tyrosine
  • Preferred Abbreviation: L-methionyl-L-leucylglycylglycyl-L-tyrosine
  • IUPAC Name:
  • CAS:
  • CID: -384
  • InChiKey: JZJYLEZXAOZBSH-QYZOEREBSA-N
  • InChi: InChI=1S/C24H37N5O7S/c1-14(2)10-18(29-22(33)17(25)8-9-37-3)23(34)27-12-20(31)26-13-21(32)28-19(24(35)36)11-15-4-6-16(30)7-5-15/h4-7,14,17-19,30H,8-13,25H2,1-3H3,(H,26,31)(H,27,34)(H,28,32)(H,29,33)(H,35,36)/t17-,18+,19+/m1/s1
  • CanoSmiles: O=C(NCC(NCC(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)=O)=O)[C@@H](NC([C@H](N)CCSC)=O)CC(C)C
  • IsoSmiles: O=C(NCC(NCC(N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)=O)=O)[C@@H](NC([C@H](N)CCSC)=O)CC(C)C