Basic information
- Standard SMILES
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(-c2ccccn2)cc1)C[C@H](OC(=O)CCC(=O)O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2ccccc2)C1=O)C(C)(C)C)C(C)(C)C- InChIKey
IZOHLUJGBJDILO-LVEWYVSHSA-N- Molecular formula
- C51H64N6O9
- Average molar mass
- 905.1 g/mol
Names & identifiers
- Preferred name
- (5S,8S,10S)-10-((1S)-1-{[(2S)-2-(3-benzyl-2-oxoimidazolidin-1-yl)-3,3-dimethylbutanoyl]amino}-2-phenylethyl)-5-tert-butyl-3,6,12-trioxo-8-(4-pyridin-2-ylbenzyl)-2,11-dioxa-4,7-diazapentadecan-15-oic acid
- IUPAC
- 4-[(2S,3S,5S)-2-[[(2S)-2-(3-benzyl-2-oxoimidazolidin-1-yl)-3,3-dimethylbutanoyl]amino]-5-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-1-phenyl-6-(4-pyridin-2-ylphenyl)hexan-3-yl]oxy-4-oxobutanoic acid
Names & synonyms
SCHEMBL2441035IZOHLUJGBJDILO-LVEWYVSHSA-N(5S,8S,10S)-10-((1S)-1-{[(2S)-2-(3-benzyl-2-oxoimidazolidin-1-yl)-3,3-dimethylbutanoyl]amino}-2-phenylethyl)-5-tert-butyl-3,6,12-trioxo-8-(4-pyridin-2-ylbenzyl)-2,11-dioxa-4,7-diazapentadecan-15-oic acid
Database identifiers
- PubChem CID
- 11332011
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 24
- Heavy atoms
- 66
- Formal charge
- 0
- Complexity
- 1,590
Related reactions
1 records
Compound notes
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