H-TARKSTGY-NH2 | SBID = 1555 | 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: 3.0
Number of H-Bond Donors: 18.0
Number of H-Bond Acceptors: 19.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C37H66N13O12+++
M / g/mol: 884.999840000001
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: H-TARKSTGY-NH2
  • Preferred Abbreviation: TARKSTGY
  • IUPAC Name:
  • CAS:
  • CID: -613
  • InChiKey: HXKUNMZSOVDSNR-UHFFFAOYSA-Q
  • InChi: InChI=1S/C37H63N13O12/c1-18(31(57)50-35(61)28(39)19(2)52)45-23(8-6-14-43-37(41)42)32(58)47-24(7-4-5-13-38)33(59)48-26(17-51)34(60)49-29(20(3)53)36(62)44-16-27(55)46-25(30(40)56)15-21-9-11-22(54)12-10-21/h9-12,18-20,23-26,28-29,45,51-54H,4-8,13-17,38-39H2,1-3H3,(H2,40,56)(H,44,62)(H,46,55)(H,47,58)(H,48,59)(H,49,60)(H4,41,42,43)(H,50,57,61)/p+3
  • CanoSmiles: [NH3+]CCCCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N)Cc1ccc(cc1)O)C(O)C)CO)NC(=O)C(NC(C(=O)NC(=O)C(C(O)C)[NH3+])C)CCCNC(=[NH2+])N
  • IsoSmiles: O=C(NC(C([NH3+])C(C)O)=O)C(NC(CCCNC(N)=[NH2+])C(NC(CCCC[NH3+])C(NC(CO)C(NC(C(C)O)C(NC([H])C(NC(CC1=CC=C(O)C=C1)C(N)=O)=O)=O)=O)=O)=O)C