3-pyridylmethyl N-[2-[[(1S,2S,4S)-1-benzyl-2-hydroxy-5-phenyl-4-[[2-(3-pyridylmethoxycarbonylamino)benzoyl]amino]pentyl]carbamoyl]phenyl]carbamate
Basic information
- CAS
173094-29-6- Standard SMILES
O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1cccnc1)OCc1cccnc1- InChIKey
BGHYHFHFLYFAEU-XGXWMDOZSA-N- Molecular formula
- C46H44N6O7
- Average molar mass
- 792.9 g/mol
- Monoisotopic mass
- 792.32714776
Names & identifiers
- Preferred name
- 3-pyridylmethyl N-[2-[[(1S,2S,4S)-1-benzyl-2-hydroxy-5-phenyl-4-[[2-(3-pyridylmethoxycarbonylamino)benzoyl]amino]pentyl]carbamoyl]phenyl]carbamate
- IUPAC
- pyridin-3-ylmethyl N-[2-[[(2S,3S,5S)-3-hydroxy-1,6-diphenyl-5-[[2-(pyridin-3-ylmethoxycarbonylamino)benzoyl]amino]hexan-2-yl]carbamoyl]phenyl]carbamate
Names & synonyms
173094-29-6CHEMBL315500Carbamic acid, ((2-hydroxy-1,4-bis(phenylmethyl)-1,4-butanediyl)bis(iminocarbonyl-2,1-phenylene))bis-, bis(3-pyridinylmethyl) ester, (1S-(1R*,2R*,4R*))-Carbamic acid, [[2-hydroxy-1,4-bis(phenylmethyl)-1,4-butanediyl]bis(iminocarbonyl-2,1-phenylene)]bis-, bis(3-pyridinylmethyl) ester, [1S-(1R*,2R*,4R*)]-DTXSID00938298BDBM502856983-pyridylmethyl N-[2-[[(1S,2S,4S)-1-benzyl-2-hydroxy-5-phenyl-4-[[2-(3-pyridylmethoxycarbonylamino)benzoyl]amino]pentyl]carbamoyl]phenyl]carbamateN,N'-(3-Hydroxy-1,6-diphenylhexane-2,5-diyl)bis[2-({hydroxy[(pyridin-3-yl)methoxy]methylidene}amino)benzene-1-carboximidic acid]N,N'-[(2S,3S,5S)-3-Hydroxy-1,6-diphenylhexane-2,5-diyl]bis[2-({hydroxy[(pyridin-3-yl)methoxy]methylidene}amino)benzene-1-carboximidic acid]
Database identifiers
- CAS
173094-29-6- PubChem CID
- 468438
- DTXSID
DTXSID00938298- ChEMBL
CHEMBL315500
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 19
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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