H-TARK(me3)STGY-NH2 | SBID = 1556 | 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: 17.0
Number of H-Bond Acceptors: 19.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C40H72N13O12+++
M / g/mol: 927.079580000001
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: H-TARK(me3)STGY-NH2
  • Preferred Abbreviation: TARK(me3)STGY
  • IUPAC Name:
  • CAS:
  • CID: -614
  • InChiKey: RWPLKVKZAKNHMU-UHFFFAOYSA-Q
  • InChi: InChI=1S/C40H69N13O12/c1-21(34(60)52-38(64)31(41)22(2)55)47-26(11-9-16-45-40(43)44)35(61)49-27(10-7-8-17-53(4,5)6)36(62)50-29(20-54)37(63)51-32(23(3)56)39(65)46-19-30(58)48-28(33(42)59)18-24-12-14-25(57)15-13-24/h12-15,21-23,26-29,31-32,47,54-56H,7-11,16-20,41H2,1-6H3,(H12-,42,43,44,45,46,48,49,50,51,52,57,58,59,60,61,62,63,64,65)/p+3
  • CanoSmiles: OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N)Cc1ccc(cc1)O)C(O)C)NC(=O)C(NC(=O)C(NC(C(=O)NC(=O)C(C(O)C)[NH3+])C)CCCNC(=[NH2+])N)CCCC[N+](C)(C)C
  • IsoSmiles: [NH3+]C(C(C)O)C(NC(C(NC(CCCNC(N)=[NH2+])C(NC(CCCC[N+](C)(C)C)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)=O)=O