(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-leucyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-valine benzylamide
Basic information
- CAS
161510-44-7- Standard SMILES
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCc1ccccc1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C- InChIKey
COLLVXHYCDJZCB-PLXHNDKISA-N- Molecular formula
- C44H55N5O6
- Average molar mass
- 749.9 g/mol
- Monoisotopic mass
- 749.41523449
Names & identifiers
- Preferred name
- (2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-leucyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-valine benzylamide
- IUPAC
- benzyl N-[(2S)-1-[[(2S,3R,4R)-4-(benzylamino)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Names & synonyms
161510-44-7(2R,3S,4S)-N-(2-(Benzylamino)-4-((N-((benzyloxy)carbonyl)-L-leucyl)amino)-3-hydroxy-5-phenylpentanoyl)-L-valine benzylamideDTXSID10167173RefChem:206785DTXCID8089664Statine deriv. 20BDBM940CHEMBL319414benzyl N-[(1S)-1-{[(2S,3R,4R)-4-(benzylamino)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1-phenylbutan-2-yl]carbamoyl}-3-methylbutyl]carbamate(2R,3S,4S)-N-[2-(Benzylamino)-4-[[N-[(benzyloxy)carbonyl]-L-leucyl]amino]-3-hydroxy-5- phenylpentanoyl]-L-valine benzylamideBenzyl [(2S)-1-{[(2S,3R,4R)-4-(benzylamino)-5-{[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino}-3-hydroxy-5-oxo-1-phenylpentan-2-yl]amino}-4-methyl-1-oxopentan-2-yl]carbamatebenzyl N-[(1S)-1-[[(1S,2R,3R)-1-benzyl-3-(benzylamino)-4-[[(1S)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-4-oxo-butyl]carbamoyl]-3-methyl-butyl]carbamate
Database identifiers
- CAS
161510-44-7- PubChem CID
- 460211
- DTXSID
DTXSID10167173- ChEMBL
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 21
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,140
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