Basic information
- Standard SMILES
C[C@@H](C(=O)N[C@H](C(=O)N1C[C@@H](N)C[C@H]1C(=O)N[C@H]1CCCc2ccccc21)C1CCCCC1)N(C)C(=O)OC(C)(C)C- InChIKey
MQXRDFRHLFKZNZ-UIGMUVSQSA-N- Molecular formula
- C32H49N5O5
- Average molar mass
- 583.8 g/mol
Names & identifiers
- Preferred name
- [(S)-1-((S)-2-{(2S,4S)-4-Amino-2-[(S)-(1,2,3,4-tetrahydro-naphthalen-1-yl)carbamoyl]-pyrrolidin-1-yl}-1-cyclohexyl-2-oxo-ethylcarbamoyl)-ethyl]-methyl-carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[(2S)-1-[[(1S)-2-[(2S,4S)-4-amino-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
Names & synonyms
SCHEMBL15811472MQXRDFRHLFKZNZ-UIGMUVSQSA-N[(S)-1-((S)-2-{(2S,4S)-4-Amino-2-[(S)-(1,2,3,4-tetrahydro-naphthalen-1-yl)carbamoyl]-pyrrolidin-1-yl}-1-cyclohexyl-2-oxo-ethylcarbamoyl)-ethyl]-methyl-carbamic acid tert-butyl ester
Database identifiers
- PubChem CID
- 90231663
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 977
Related reactions
1 records
Compound notes
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