Di-Trp Gly4 target | SBID = 1325 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 14.0 | ||
| Number of H-Bond Acceptors: | 22.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C40H49N13O11 | ||
| M / g/mol: | 887.897560000001 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: peptide, aromatic, amino acid, typical guest
- Name: Di-Trp Gly4 target
- Preferred Abbreviation: Di-Trp Gly4 target
- IUPAC Name:
- CAS:
- CID: -467
- InChiKey: CNOUPIFKVASHCB-UHFFFAOYSA-N
- InChi: InChI=1S/C40H49N13O11/c1-22(54)42-15-32(56)48-20-37(61)52-30(11-24-13-44-28-9-5-3-7-26(24)28)40(64)51-19-36(60)47-16-33(57)46-17-34(58)49-21-38(62)53-29(39(63)50-18-35(59)45-14-31(41)55)10-23-12-43-27-8-4-2-6-25(23)27/h2-9,12-13,29-30,43-44H,10-11,14-21H2,1H3,(H2,41,55)(H,42,54)(H,45,59)(H,46,57)(H,47,60)(H,48,56)(H,49,58)(H,50,63)(H,51,64)(H,52,61)(H,53,62)
- CanoSmiles: O=C(NCC(=O)NCC(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N)Cc1c[nH]c2c1cccc2)CNC(=O)CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)CNC(=O)C
- IsoSmiles: CC(NCC(NCC(N[C@@H](CC1=CNC2=C1C=CC=C2)C(NCC(NCC(NCC(NCC(N[C@@H](CC3=CNC4=C3C=CC=C4)C(NCC(NCC(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O
