methionyllysylalanine | SBID = 1134 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 173.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -3.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 5.0 | ||
| Number of H-Bond Acceptors: | 7.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 3.0 | ||
| 3D Volume/Å3: | 269.9 | ||
| Sum Formula: | C14H28N4O4S | ||
| M / g/mol: | 348.46 | ||
| Complexity: | 395.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: peptide
- Name: methionyllysylalanine
- Preferred Abbreviation: methionyllysylalanine
- IUPAC Name: (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]propanoic acid
- CAS:
- CID: 145456994
- InChiKey: UNPGTBHYKJOCCZ-DCAQKATOSA-N
- InChi: InChI=1S/C14H28N4O4S/c1-9(14(21)22)17-13(20)11(5-3-4-7-15)18-12(19)10(16)6-8-23-2/h9-11H,3-8,15-16H2,1-2H3,(H,17,20)(H,18,19)(H,21,22)/t9-,10-,11-/m0/s1
- CanoSmiles: CC(C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCSC)N
- IsoSmiles: C[C@@H](C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)N
