tyrosylmethionine | SBID = 1311 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 138.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -1.9 | ||
| 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): | 2.0 | ||
| 3D Volume/Å3: | 240.2 | ||
| Sum Formula: | C14H20N2O4S | ||
| M / g/mol: | 312.39 | ||
| Complexity: | 346.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: peptide
- Name: tyrosylmethionine
- Preferred Abbreviation: Tyr-met
- IUPAC Name: (2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoic acid
- CAS:
- CID: 46937960
- InChiKey: KYPMKDGKAYQCHO-RYUDHWBXSA-N
- InChi: InChI=1S/C14H20N2O4S/c1-21-7-6-12(14(19)20)16-13(18)11(15)8-9-2-4-10(17)5-3-9/h2-5,11-12,17H,6-8,15H2,1H3,(H,16,18)(H,19,20)/t11-,12-/m0/s1
- CanoSmiles: CSCCC(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)N
- IsoSmiles: CSCC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)N
