Basic information
- Standard SMILES
CC(C)(C)OC(=O)C1CCC(c2ccccc2)N1C(=O)CNC(=O)Nc1cccc(CC(=O)O)c1- InChIKey
KGORXQFWNIEKJH-UHFFFAOYSA-N- Molecular formula
- C26H31N3O6
- Average molar mass
- 481.5 g/mol
Names & identifiers
- Preferred name
- (2RS,5SR)-3-{3-[2-(2-tert-butoxycarbonyl-5-phenyl-1-pyrrolidinyl)-2-oxoethyl]ureido}phenylacetic acid
- IUPAC
- 2-[3-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpyrrolidin-1-yl]-2-oxoethyl]carbamoylamino]phenyl]acetic acid
Names & synonyms
SCHEMBL8870076KGORXQFWNIEKJH-UHFFFAOYSA-N(2RS,5SR)-3-{3-[2-(2-tert-butoxycarbonyl-5-phenyl-1-pyrrolidinyl)-2-oxoethyl]ureido}phenylacetic acid
Database identifiers
- PubChem CID
- 19968024
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 774
Related reactions
2 records
Compound notes
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