alanylmethionyltyrosine | SBID = 1135 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 167.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.3 | ||
| 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: | 294.2 | ||
| Sum Formula: | C17H25N3O5S | ||
| M / g/mol: | 383.5 | ||
| Complexity: | 483.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: peptide
- Name: alanylmethionyltyrosine
- Preferred Abbreviation: alanylmethionyltyrosine
- IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
- CAS:
- CID: 11773519
- InChiKey: FVNAUOZKIPAYNA-BPNCWPANSA-N
- InChi: InChI=1S/C17H25N3O5S/c1-10(18)15(22)19-13(7-8-26-2)16(23)20-14(17(24)25)9-11-3-5-12(21)6-4-11/h3-6,10,13-14,21H,7-9,18H2,1-2H3,(H,19,22)(H,20,23)(H,24,25)/t10-,13-,14-/m0/s1
- CanoSmiles: CC(C(=O)NC(CCSC)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)N
- IsoSmiles: C[C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O)N
