Ac-WGGGQTARK(me3)STGGR-NH2 | SBID = 1357 | 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: 28.0
Number of H-Bond Acceptors: 35.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C63H107N24O19+++
M / g/mol: 1504.67308
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: Ac-WGGGQTARK(me3)STGGR-NH2
  • Preferred Abbreviation: WGGGQTARK(me3)STGGR
  • IUPAC Name:
  • CAS:
  • CID: -489
  • InChiKey: RHWZUEQTONTVDQ-UHFFFAOYSA-Q
  • InChi: InChI=1S/C63H104N24O19/c1-32(78-61(106)52(34(3)90)86-58(103)42(19-20-45(64)92)81-50(97)30-74-46(93)26-73-47(94)27-76-55(100)43(79-35(4)91)24-36-25-72-38-15-9-8-14-37(36)38)54(99)82-41(18-13-22-71-63(68)69)56(101)83-40(16-10-11-23-87(5,6)7)57(102)84-44(31-88)59(104)85-51(33(2)89)60(105)77-28-48(95)75-29-49(96)80-39(53(65)98)17-12-21-70-62(66)67/h8-9,14-15,25,32-34,39-44,51-52,72,88-90H,10-13,16-24,26-31H2,1-7H3,(H25-,64,65,66,67,68,69,70,71,73,74,75,76,77,78,79,80,81,82,83,84,85,86,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106)/p+3
  • CanoSmiles: OCC(C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)N)CCCNC(=[NH2+])N)C(O)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)CNC(=O)CNC(=O)CNC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C)CCC(=O)N)C)CCCNC(=[NH2+])N)CCCC[N+](C)(C)C
  • IsoSmiles: O=C(NC([H])C(NC([H])C(NC([H])C(NC(CCC(N)=O)C(NC(C(C)O)C(NC(C)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([H])C(NC(CCCNC(N)=[NH2+])C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)C(CC1=CNC2=C1C=CC=C2)NC(C)=O