Basic information
- Standard SMILES
CC(C)(C)OC(=O)NN(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2ccccc2n1- InChIKey
PKBXPWORCQOPQX-CHQNGUEUSA-N- Molecular formula
- C36H42N6O6
- Average molar mass
- 654.8 g/mol
Names & identifiers
- Preferred name
- tert-butyl N-[[(2S,3S)-3-[[(2S)-4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-benzyl-amino]carbamate
- IUPAC
- tert-butyl N-[[(2S,3S)-3-[[(2S)-4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenylbutyl]-benzylamino]carbamate
Names & synonyms
SCHEMBL6444044PKBXPWORCQOPQX-CHQNGUEUSA-N1-[2(S)-hydroxy-3(S)-(N-(quinoline-2-carbonyl)-(L)-asparaginyl)amino-4-phenyl-butyl]-1-[phenylmethyl]-2-[tert-butoxycarbonyl]-hydrazine1-[2(S)-Hydroxy-3(S)-(N-(quinoline-2-carbonyl)-(L)-asparaginyl)amino-4-phenyl-butyl]1-[phenylmethyl]-2-[tert-butoxycarbonyl]-hydrazinet-Butyl 3-benzyl)-3-[(2S, 3S)-2-hydroxy-3-(N-quinaldyl-L-asparaginyl)amino-4-phenylbutyl]carbazatetert-butyl N-[[(2S,3S)-3-[[(2S)-4-amino-4-oxo-2-(quinoline-2-carbonylamino)butanoyl]amino]-2-hydroxy-4-phenyl-butyl]-benzyl-amino]carbamate
Database identifiers
- PubChem CID
- 491700
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
2 records
Compound notes
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