H-ARTKQTARK(me3)STGY-NH2 | SBID = 1259 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 7
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 1.0
Number of H-Bond Donors: 29.0
Number of H-Bond Acceptors: 36.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C64H114N23O19+
M / g/mol: 1509.73266
Complexity:
Number of Conformers:

Identifiers

  • Tags: amino acid, typical guest
  • Name: H-ARTKQTARK(me3)STGY-NH2
  • Preferred Abbreviation: ARTKQTARK(me3)STGY
  • IUPAC Name:
  • CAS:
  • CID: -426
  • InChiKey: IGVVQLJQEXPERN-UHFFFAOYSA-O
  • InChi: InChI=1S/C64H113N23O19/c1-32(66)52(96)78-42(18-14-27-74-64(71)72)57(101)84-49(35(4)90)61(105)81-41(15-9-11-25-65)55(99)80-43(23-24-46(67)93)58(102)85-50(36(5)91)62(106)86-53(97)33(2)76-39(17-13-26-73-63(69)70)54(98)79-40(16-10-12-28-87(6,7)8)56(100)82-45(31-88)59(103)83-48(34(3)89)60(104)75-30-47(94)77-44(51(68)95)29-37-19-21-38(92)22-20-37/h19-22,32-36,39-45,48-50,76,88-91H,9-18,23-31,65-66H2,1-8H3,(H23-,67,68,69,70,71,72,73,74,75,77,78,79,80,81,82,83,84,85,86,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106)/p+1
  • CanoSmiles: NCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(=O)C(NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N)Cc1ccc(cc1)O)C(O)C)CO)CCCC[N+](C)(C)C)CCCNC(=N)N)C)C(O)C)CCC(=O)N)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C(N)C)CCCNC(=N)N
  • IsoSmiles: NC(C)C(NC(CCCNC(N)=N)C(NC(C(C)O)C(NC(CCCCN)C(NC(CCC(N)=O)C(NC(C(C)O)C(NC(C(NC(CCCNC(N)=N)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)=O)=O)=O)=O)=O