(E)-3-{3-[2-((2RS,5SR)-2-tert-butoxycarbonyl-5-phenyl-1-pyrrolidinyl)-2-oxoethyl]ureido}cinnamic-acid
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)C1CCC(c2ccccc2)N1C(=O)CNC(=O)Nc1cccc(/C=C/C(=O)O)c1- InChIKey
YPJDTEPYWDZRQU-NTCAYCPXSA-N- Molecular formula
- C27H31N3O6
- Average molar mass
- 493.6 g/mol
Names & identifiers
- Preferred name
- (E)-3-{3-[2-((2RS,5SR)-2-tert-butoxycarbonyl-5-phenyl-1-pyrrolidinyl)-2-oxoethyl]ureido}cinnamic-acid
- IUPAC
- (E)-3-[3-[[2-[2-[(2-methylpropan-2-yl)oxycarbonyl]-5-phenylpyrrolidin-1-yl]-2-oxoethyl]carbamoylamino]phenyl]prop-2-enoic acid
Names & synonyms
SCHEMBL8871201YPJDTEPYWDZRQU-NTCAYCPXSA-N(E)-3-{3-[2-((2RS,5SR)-2-tert-butoxycarbonyl-5-phenyl-1-pyrrolidinyl)-2-oxoethyl]ureido}cinnamic-acid
Database identifiers
- PubChem CID
- 19967985
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 830
Related reactions
1 records
Compound notes
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