Met-Lys-Val-Gly-Tyr | SBID = 1195 | 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: 13.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C27H44N6O7S
M / g/mol: 596.73926
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide
  • Name: Met-Lys-Val-Gly-Tyr
  • Preferred Abbreviation: Met-Lys-Val-Gly-Tyr
  • IUPAC Name:
  • CAS:
  • CID: -388
  • InChiKey: DCYVNCNNKQDGSC-UHFFFAOYSA-N
  • InChi: InChI=1S/C27H44N6O7S/c1-16(2)23(33-25(37)20(6-4-5-12-28)32-24(36)19(29)11-13-41-3)26(38)30-15-22(35)31-21(27(39)40)14-17-7-9-18(34)10-8-17/h7-10,16,19-21,23,34H,4-6,11-15,28-29H2,1-3H3,(H,30,38)(H,31,35)(H,32,36)(H,33,37)(H,39,40)
  • CanoSmiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)C(C)C)NC(=O)[C@H](CCSC)N
  • IsoSmiles: N[C@H](C(N[C@@H](CCCCN)C(N[C@@H](C(C)C)C(NCC(N[C@H](C(O)=O)CC1=CC=C(O)C=C1)=O)=O)=O)=O)CCSC