Basic information
- Standard SMILES
CC[C@H](C)[C@H](C(=O)OC)N(C(=O)[C@H](NC(=O)OCc1ccccc1)C1Cc2ccccc2C1)C(C(=O)Nc1ccccc1OCc1ccccc1)c1ccc(C)nc1C- InChIKey
YYRKLFYIWGDLKM-GUESRHDHSA-N- Molecular formula
- C48H52N4O7
- Average molar mass
- 796.9 g/mol
Names & identifiers
- Preferred name
- Methyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinate
- IUPAC
- methyl (2R,3S)-2-[[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-(phenylmethoxycarbonylamino)acetyl]-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-(2-phenylmethoxyanilino)ethyl]amino]-3-methylpentanoate
Names & synonyms
SCHEMBL1598568SCHEMBL9975071YYRKLFYIWGDLKM-GUESRHDHSA-Nmethyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl) oxy]carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinatemethyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl) oxy]carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]D-alloisoleucinateMethyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]-D-alloisoleucinatemethyl N-[(2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-({[(phenylmethyl)oxy]carbonyl}amino)acetyl]-N-[1-(2,6-dimethyl-3-pyridinyl)-2-oxo-2-({2-[(phenylmethyl)oxy]phenyl}amino)ethyl]D-alloisoleucinate
Database identifiers
- PubChem CID
- 57722468
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 136 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 18
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,340
Related reactions
9 records
Compound notes
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