L-Tyrosyl-L-methionyl-L-alanine | SBID = 1142 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 167.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.2 | ||
| 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: | 292.3 | ||
| Sum Formula: | C17H25N3O5S | ||
| M / g/mol: | 383.5 | ||
| Complexity: | 483.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: peptide
- Name: L-Tyrosyl-L-methionyl-L-alanine
- Preferred Abbreviation: tyrosylmethionylalanine
- IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoic acid
- CAS:
- CID: 145458715
- InChiKey: SBLZVFCEOCWRLS-BPNCWPANSA-N
- InChi: InChI=1S/C17H25N3O5S/c1-10(17(24)25)19-16(23)14(7-8-26-2)20-15(22)13(18)9-11-3-5-12(21)6-4-11/h3-6,10,13-14,21H,7-9,18H2,1-2H3,(H,19,23)(H,20,22)(H,24,25)/t10-,13-,14-/m0/s1
- CanoSmiles: CC(C(=O)O)NC(=O)C(CCSC)NC(=O)C(CC1=CC=C(C=C1)O)N
- IsoSmiles: C[C@@H](C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CC=C(C=C1)O)N
