Tyrosyl-Glycine | SBID = 1641 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 113.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -2.9 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 4.0 | ||
| Number of H-Bond Acceptors: | 5.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 181.3 | ||
| Sum Formula: | C11H14N2O4 | ||
| M / g/mol: | 238.24 | ||
| Complexity: | 275.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: Tyrosyl-Glycine
- Preferred Abbreviation: Tyr-gly
- IUPAC Name: 2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetic acid
- CAS:
- CID: 7021854
- InChiKey: HPYDSVWYXXKHRD-VIFPVBQESA-N
- InChi: InChI=1S/C11H14N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,17)(H,15,16)/t9-/m0/s1
- CanoSmiles: C1=CC(=CC=C1CC(C(=O)NCC(=O)O)N)O
- IsoSmiles: C1=CC(=CC=C1C[C@@H](C(=O)NCC(=O)O)N)O
