trans-2-Bromo-1-indanol)
Basic information
- CAS
6491-20-9- Standard SMILES
NC(Cc1ccccc1)C(=O)NCC(=O)NCC(=O)O- InChIKey
NAXPHWZXEXNDIW-UHFFFAOYSA-N- Molecular formula
- C13H17N3O4
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.12190603
Names & identifiers
- Preferred name
- trans-2-Bromo-1-indanol)
- IUPAC
- 2-[[2-[(2-amino-3-phenylpropanoyl)amino]acetyl]amino]acetic acid
- English name
- TRANS-2-BROMO-1-INDANOL)
- Molecular weight
- 0
Names & synonyms
TRANS-2-BROMO-1-INDANOL)78684-69-26491-20-9L-ALANYL GLYCYLGLYCINESCHEMBL1330243DTXSID60999946NSC163391AKOS010407658NSC-163391PD196683ST509817402-(2-(2-amino-3-phenylpropanamido)acetamido) acetic acid
Show more names
2-[2-(2-amino-3-phenylpropanoylamino)acetylamino]acetic acid2-[[2-[(2-amino-3-phenyl-propanoyl)amino]acetyl]amino]acetic acid2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-acetyl]amino]-acetic acidN-{2-[(2-Amino-1-hydroxy-3-phenylpropylidene)amino]-1-hydroxyethylidene}glycine
Database identifiers
- CAS
6491-20-9、78684-69-2- PubChem CID
- 294583
- DTXSID
DTXSID60999946
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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