Basic information
- Standard SMILES
CC(=O)NNC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CNC(=O)[C@@H](CCS(C)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C- InChIKey
HHISXJBTXURQID-UVCSODQQSA-N- Molecular formula
- C33H46N6O9S
- Average molar mass
- 702.8 g/mol
Names & identifiers
- Preferred name
- BOC-Tyr-(D)-Met(O)-Gly-MePhe-NHNH-CO-CH3
- IUPAC
- tert-butyl N-[(2S)-1-[[(2R)-1-[[2-[[(2S)-1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-2-oxoethyl]amino]-4-methylsulfinyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate
Names & synonyms
HHISXJBTXURQID-UVCSODQQSA-NBOC-Tyr-(D)-Met(O)-Gly-MePhe-NHNH-CO-CH3
Database identifiers
- PubChem CID
- 12919692
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 232 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,170
Related reactions
2 records
Compound notes
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