tert-butyl N-[(2S)-1-[[(2R)-2-[7-(carbamoylamino)heptylamino]-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Basic information
- CAS
159698-59-6- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC(=O)[C@@](C)(Cc1ccccc1)NCCCCCCCNC(N)=O- InChIKey
YBBLYVFCUHFAKO-XYFQYJLHSA-N- Molecular formula
- C32H47N5O5
- Average molar mass
- 581.7 g/mol
- Monoisotopic mass
- 581.35771962
Names & identifiers
- Preferred name
- tert-butyl N-[(2S)-1-[[(2R)-2-[7-(carbamoylamino)heptylamino]-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
- IUPAC
- tert-butyl N-[(2S)-1-[[(2R)-2-[7-(carbamoylamino)heptylamino]-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Names & synonyms
tert-butyl N-[(2S)-1-[[(2R)-2-[7-(carbamoylamino)heptylamino]-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamateDTXSID40936157N-((1,1-Dimethylethoxy)carbonyl)-L-phenylalanyl-N-(7-((aminocarbonyl)amino)heptyl)methyl-D-phenylalaninamide(2S)-2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-[N-(7-{[hydroxy(imino)methyl]amino}heptyl)-alpha-methyl-D-phenylalanyl]-3-phenylpropanimidic acid2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-[N-(7-{[hydroxy(imino)methyl]amino}heptyl)-alpha-methylphenylalanyl]-3-phenylpropanimidic acid
Database identifiers
- CAS
159698-59-6- PubChem CID
- 190946
- DTXSID
DTXSID40936157
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 18
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 849
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…