H-ARTKQTAY-NH2 | SBID = 1553 | 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: | 19.0 | ||
| Number of H-Bond Acceptors: | 20.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C40H71N14O12+++ | ||
| M / g/mol: | 940.07834 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: H-ARTKQTAY-NH2
- Preferred Abbreviation: ARTKQTAY
- IUPAC Name:
- CAS:
- CID: -611
- InChiKey: KWOWWOMGCPQUOY-UHFFFAOYSA-Q
- InChi: InChI=1S/C40H68N14O12/c1-19(42)33(60)49-26(9-7-17-47-40(45)46)36(63)52-30(21(3)55)38(65)51-25(8-5-6-16-41)35(62)50-27(14-15-29(43)58)37(64)53-31(22(4)56)39(66)54-34(61)20(2)48-28(32(44)59)18-23-10-12-24(57)13-11-23/h10-13,19-22,25-28,30-31,48,55-57H,5-9,14-18,41-42H2,1-4H3,(H2,43,58)(H2,44,59)(H,49,60)(H,50,62)(H,51,65)(H,52,63)(H,53,64)(H4,45,46,47)(H,54,61,66)/p+3
- CanoSmiles: [NH3+]CCCCC(C(=O)NC(C(=O)NC(C(=O)NC(=O)C(NC(C(=O)N)Cc1ccc(cc1)O)C)C(O)C)CCC(=O)N)NC(=O)C(C(O)C)NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N
- IsoSmiles: [NH3+]C(C)C(NC(CCCNC(N)=[NH2+])C(NC(C(C)O)C(NC(CCCC[NH3+])C(NC(CCC(N)=O)C(NC(C(C)O)C(NC(C(NC(CC1=CC=C(O)C=C1)C(N)=O)C)=O)=O)=O)=O)=O)=O)=O
