glycyl-l-asparagine | SBID = 1629 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 136.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -4.9 | ||
| 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: | 137.2 | ||
| Sum Formula: | C6H11N3O4 | ||
| M / g/mol: | 189.17 | ||
| Complexity: | 228.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags:
- Name: glycyl-l-asparagine
- Preferred Abbreviation: gly-l-asn
- IUPAC Name: (2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoic acid
- CAS: 1999-33-3
- CID: 99282
- InChiKey: FUESBOMYALLFNI-VKHMYHEASA-N
- InChi: InChI=1S/C6H11N3O4/c7-2-5(11)9-3(6(12)13)1-4(8)10/h3H,1-2,7H2,(H2,8,10)(H,9,11)(H,12,13)/t3-/m0/s1
- CanoSmiles: C(C(C(=O)O)NC(=O)CN)C(=O)N
- IsoSmiles: C([C@@H](C(=O)O)NC(=O)CN)C(=O)N
