H-Lys-Ala-Ala-OH | SBID = 1516 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 148.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -4.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 5.0 | ||
| Number of H-Bond Acceptors: | 6.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 3.0 | ||
| 3D Volume/Å3: | 224.1 | ||
| Sum Formula: | C12H24N4O4 | ||
| M / g/mol: | 288.34 | ||
| Complexity: | 348.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: typical guest, amino acid
- Name: H-Lys-Ala-Ala-OH
- Preferred Abbreviation: KAA
- IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]propanoic acid
- CAS:
- CID: 7010720
- InChiKey: FZIJIFCXUCZHOL-CIUDSAMLSA-N
- InChi: InChI=1S/C12H24N4O4/c1-7(10(17)16-8(2)12(19)20)15-11(18)9(14)5-3-4-6-13/h7-9H,3-6,13-14H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)/t7-,8-,9-/m0/s1
- CanoSmiles: CC(C(=O)NC(C)C(=O)O)NC(=O)C(CCCCN)N
- IsoSmiles: C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCCCN)N
