methionylleucylalanine | SBID = 1133 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 147.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| 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: | 260.5 | ||
| Sum Formula: | C14H27N3O4S | ||
| M / g/mol: | 333.45 | ||
| Complexity: | 390.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: peptide
- Name: methionylleucylalanine
- Preferred Abbreviation: methionylleucylalanine
- IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
- CAS:
- CID: 145456981
- InChiKey: AFFKUNVPPLQUGA-DCAQKATOSA-N
- InChi: InChI=1S/C14H27N3O4S/c1-8(2)7-11(13(19)16-9(3)14(20)21)17-12(18)10(15)5-6-22-4/h8-11H,5-7,15H2,1-4H3,(H,16,19)(H,17,18)(H,20,21)/t9-,10-,11-/m0/s1
- CanoSmiles: CC(C)CC(C(=O)NC(C)C(=O)O)NC(=O)C(CCSC)N
- IsoSmiles: C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)N
