H-ARTK(me3)QTAY-NH2 | SBID = 1554 | 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: | 18.0 | ||
| Number of H-Bond Acceptors: | 20.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C43H77N14O12+++ | ||
| M / g/mol: | 982.158080000001 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: H-ARTK(me3)QTAY-NH2
- Preferred Abbreviation: ARTK(me3)QTAY
- IUPAC Name:
- CAS:
- CID: -612
- InChiKey: HAWCPKNBPOZKQO-UHFFFAOYSA-Q
- InChi: InChI=1S/C43H74N14O12/c1-22(44)36(63)51-29(12-10-19-49-43(47)48)39(66)54-33(24(3)58)41(68)53-28(11-8-9-20-57(5,6)7)38(65)52-30(17-18-32(45)61)40(67)55-34(25(4)59)42(69)56-37(64)23(2)50-31(35(46)62)21-26-13-15-27(60)16-14-26/h13-16,22-25,28-31,33-34,50,58-59H,8-12,17-21,44H2,1-7H3,(H14-,45,46,47,48,49,51,52,53,54,55,56,60,61,62,63,64,65,66,67,68,69)/p+3
- CanoSmiles: NC(=O)CCC(C(=O)NC(C(=O)NC(=O)C(NC(C(=O)N)Cc1ccc(cc1)O)C)C(O)C)NC(=O)C(NC(=O)C(C(O)C)NC(=O)C(NC(=O)C([NH3+])C)CCCNC(=[NH2+])N)CCCC[N+](C)(C)C
- IsoSmiles: [NH3+]C(C)C(NC(CCCNC(N)=[NH2+])C(NC(C(C)O)C(NC(CCCC[N+](C)(C)C)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
