2-Amino-5-[[1-(carboxymethylamino)-3-[hydroxy(phenyl)carbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Basic information
- Standard SMILES
NC(CCC(=O)NC(CSC(=O)N(O)c1ccccc1)C(=O)NCC(=O)O)C(=O)O- InChIKey
GAALWJSKDIUONK-UHFFFAOYSA-N- Molecular formula
- C17H22N4O8S
- Average molar mass
- 442.4 g/mol
- Monoisotopic mass
- 442.11583485
Names & identifiers
- Preferred name
- 2-Amino-5-[[1-(carboxymethylamino)-3-[hydroxy(phenyl)carbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- IUPAC
- 2-amino-5-[[1-(carboxymethylamino)-3-[hydroxy(phenyl)carbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Names & synonyms
NCI60_018436SCHEMBL3280191CHEMBL1160353PD188277
Database identifiers
- PubChem CID
- 374648
- ChEMBL
CHEMBL1160353
Properties
Computed structural properties
- XLogP
- -3.3
- Topological polar surface area
- 225 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 641
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…