Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCN(CC(=O)NCC(C)(C)c1ccccc1)C(=O)[C@H](Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)NC(=O)OCc1ccccc1- InChIKey
ZKOFMQIWVDMTMT-GWHBCOKCSA-N- Molecular formula
- C52H58N6O6
- Average molar mass
- 863.1 g/mol
Names & identifiers
- Preferred name
- (S)[1-{(2-tert-Butoxycarbonylamino-ethyl)-[(2-methyl-2-phenyl-propylcarbamoyl)-methyl]-carbamoyl}-2-(1-trityl-1H-imidazol-4-yl)-ethyl]-carbamic acid benzyl ester
- IUPAC
- benzyl N-[(2S)-1-[[2-[(2-methyl-2-phenylpropyl)amino]-2-oxoethyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-1-oxo-3-(1-tritylimidazol-4-yl)propan-2-yl]carbamate
Names & synonyms
SCHEMBL7710727ZKOFMQIWVDMTMT-GWHBCOKCSA-N(S)[1-{(2-tert-Butoxycarbonylamino-ethyl)-[(2-methyl-2-phenyl-propylcarbamoyl)-methyl]-carbamoyl}-2-(1-trityl-1H-imidazol-4-yl)-ethyl]-carbamic acid benzyl ester
Database identifiers
- PubChem CID
- 70169971
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 21
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,410
Related reactions
2 records
Compound notes
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