Ac-WGGQTARK(me3)STGGK-NH2 | SBID = 1359 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 3.0 | ||
| Number of H-Bond Donors: | 25.0 | ||
| Number of H-Bond Acceptors: | 33.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C61H104N21O18+++ | ||
| M / g/mol: | 1419.60836 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: Ac-WGGQTARK(me3)STGGK-NH2
- Preferred Abbreviation: WGGQTARK(me3)STGGK
- IUPAC Name:
- CAS:
- CID: -491
- InChiKey: YELVSAYHEZHNHH-UHFFFAOYSA-Q
- InChi: InChI=1S/C61H101N21O18/c1-32(73-60(100)51(34(3)85)81-57(97)42(20-21-45(63)87)76-49(91)30-70-46(88)27-71-54(94)43(74-35(4)86)25-36-26-68-38-16-9-8-15-37(36)38)53(93)77-41(19-14-23-67-61(65)66)55(95)78-40(18-11-13-24-82(5,6)7)56(96)79-44(31-83)58(98)80-50(33(2)84)59(99)72-28-47(89)69-29-48(90)75-39(52(64)92)17-10-12-22-62/h8-9,15-16,26,32-34,39-44,50-51,68,83-85H,10-14,17-25,27-31,62H2,1-7H3,(H20-,63,64,65,66,67,69,70,71,72,73,74,75,76,77,78,79,80,81,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100)/p+3
- CanoSmiles: [NH3+]CCCCC(C(=O)N)NC(=O)CNC(=O)CNC(=O)C(C(O)C)NC(=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)C(Cc1c[nH]c2c1cccc2)NC(=O)C)CCC(=O)N)C)CCCNC(=[NH2+])N)CCCC[N+](C)(C)C)CO
- IsoSmiles: O=C(C)NC(CC1=CNC2=C1C=CC=C2)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(CCCC[NH3+])C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
