methionylphenylalanylalanine | SBID = 1131 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 147.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.4 | ||
| 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: | 286.1 | ||
| Sum Formula: | C17H25N3O4S | ||
| M / g/mol: | 367.5 | ||
| Complexity: | 455.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: peptide
- Name: methionylphenylalanylalanine
- Preferred Abbreviation: methionylphenylalanylalanine
- IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
- CAS:
- CID: 145457027
- InChiKey: MIAZEQZXAFTCCG-UBHSHLNASA-N
- InChi: InChI=1S/C17H25N3O4S/c1-11(17(23)24)19-16(22)14(10-12-6-4-3-5-7-12)20-15(21)13(18)8-9-25-2/h3-7,11,13-14H,8-10,18H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)/t11-,13-,14-/m0/s1
- CanoSmiles: CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCSC)N
- IsoSmiles: C[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCSC)N
