Sdz pri 053
Basic information
- CAS
164514-52-7- Standard SMILES
COc1ccc(CN[C@@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)(C)C)cc1- InChIKey
ZVWSWYSIMOZTTG-QVDBQUMVSA-N- Molecular formula
- C42H50N4O7
- Average molar mass
- 722.9 g/mol
- Monoisotopic mass
- 722.36794995
Names & identifiers
- Preferred name
- Sdz pri 053
- IUPAC
- benzyl N-[(2S)-1-[[(2S,3R,4R)-3-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Names & synonyms
SDZ PRI 053164514-52-7(2R,3S,4S,1'S,2'R)-4-(((N-((Benzyloxy)carbonyl)-L-tert-leucyl)amino)-3-hydroxy-2-((4-methoxybenzyl)amino)-5-phenylpentan(2'-hydroxy-1'-indanyl)amideSDZ-PRI-053benzyl N-[(2S)-1-[[(2S,3R,4R)-3-hydroxy-5-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-4-[(4-methoxyphenyl)methylamino]-5-oxo-1-phenylpentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamateBDBM1208CHEMBL291346SCHEMBL29624111DTXSID10167774benzyl N-[(1S)-1-{[(2S,3R,4R)-3-hydroxy-4-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl}-4-{[(4-methoxyphenyl)methyl]amino}-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate2-Aminobenzyl-Substituted AHPPA deriv. 2Benzyl [(2S)-1-({(2S,3R,4R)-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-[(4-methoxybenzyl)amino]-5-oxo-1-phenylpentan-2-yl}amino)-3,3-dimethyl-1-oxobutan-2-yl]carbamate
Show more names
Benzyl [(2S)-1-{[(2S,3R,4R)-3-hydroxy-5-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-4-{[(4-methoxyphenyl)methyl]amino}-5-oxo-1-phenylpentan-2-yl]amino}-3,3-dimethyl-1-oxobutan-2-yl]carbamatebenzyl N-[(1S)-1-[[(1S,2R,3R)-1-benzyl-2-hydroxy-4-[[(1S,2R)-2-hydroxyindan-1-yl]amino]-3-[(4-methoxyphenyl)methylamino]-4-oxo-butyl]carbamoyl]-2,2-dimethyl-propyl]carbamate
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 17
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,140
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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