Basic information
- Standard SMILES
C=CCOC(=O)N[C@@H](Cc1ccc(N(C(=O)C(=O)OC(C)(C)C)c2ccccc2C(=O)OC(c2ccccc2)c2ccccc2)cc1)C(=O)NCCCCOc1cccc(O)c1C(=O)OC- InChIKey
ITMSEFPKSPOZJF-KDXMTYKHSA-N- Molecular formula
- C51H53N3O12
- Average molar mass
- 900 g/mol
Names & identifiers
- Preferred name
- methyl 2-{4-[(N-[(allyloxy)carbonyl]-4-{{2-[(benzhydryloxy)carbonyl]phenyl}[tert-butoxy(oxo)acetyl]amino}-L-phenylalanyl)amino]butoxy}-6-hydroxybenzoate
- IUPAC
- methyl 2-[4-[[(2S)-3-[4-(2-benzhydryloxycarbonyl-N-[2-[(2-methylpropan-2-yl)oxy]-2-oxoacetyl]anilino)phenyl]-2-(prop-2-enoxycarbonylamino)propanoyl]amino]butoxy]-6-hydroxybenzoate
Names & synonyms
SCHEMBL6503341ITMSEFPKSPOZJF-KDXMTYKHSA-Nmethyl 2-{4-[(N-[(allyloxy)carbonyl]-4-{{2-[(benzhydryloxy)carbonyl]phenyl}[tert-butoxy(oxo)acetyl]amino}-L-phenylalanyl)amino]butoxy}-6-hydroxybenzoate
Database identifiers
- PubChem CID
- 11029331
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 196 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 25
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,560
Related reactions
2 records
Compound notes
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