3alpha-N-(N-tert-butyloxycarbonyl-O-benzyl-L-tyrosyl)aminocholestane
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Basic information
- Standard SMILES
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@H](NC(=O)[C@H](Cc5ccc(OCc6ccccc6)cc5)NC(=O)OC(C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
MFLAFOORSZPRAB-RGNCYDDUSA-N- Molecular formula
- C48H72N2O4
- Average molar mass
- 741.1 g/mol
- Monoisotopic mass
- 740.54920878
Names & identifiers
- Preferred name
- 3alpha-N-(N-tert-butyloxycarbonyl-O-benzyl-L-tyrosyl)aminocholestane
- IUPAC
- tert-butyl N-[(2S)-1-[[(3R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate
Names & synonyms
SCHEMBL7996353MFLAFOORSZPRAB-RGNCYDDUSA-N3alpha-N-(N-tert-butyloxycarbonyl-O-benzyl-L-tyrosyl)aminocholestane
Database identifiers
- PubChem CID
- 54069552
Properties
Computed structural propertiesFilling in
- XLogP
- 13.6
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,220
Related reactions
1 records
Compound notes
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