Basic information
- CAS
68172-06-5- Standard SMILES
CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CONC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O- InChIKey
GZDRRVJMVOOATR-LJWNLINESA-N- Molecular formula
- C36H47N7O10S
- Average molar mass
- 769.9 g/mol
- Monoisotopic mass
- 769.3105119
Names & identifiers
- Preferred name
- tert-Butyloxycarbonyl-aminooxyacetyl-tryptophyl-methionyl-aspartyl-phenylalaninamide
- IUPAC
- (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
- English name
- (3S)-3-[[(1S)-1-carbamoyl-2-phenyl-ethyl]carbamoyl]-3-[[(2S)-2-[[(2S)- 3-(1H-indol-3-yl)-2-[[2-(tert-butoxycarbonylamino)oxyacetyl]amino]prop anoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoic acid
- Molecular formula
- C36H47N7O10S
- Molecular weight
- 769.86
Names & synonyms
Tbnatmap68172-06-5Boc-nhoac-trp-met-asp-phe-NH2tert-Butyloxycarbonyl-aminooxyacetyl-tryptophyl-methionyl-aspartyl-phenylalaninamideDTXSID20218347RefChem:188252DTXCID40140838N-t-Boc-Trp-Met-Asp-Phe-NH2L-Phenylalaninamide, N-(((((1,1-dimethylethoxy)carbonyl)amino)oxy)acetyl)-L-tryptophyl-L-methionyl-L-alpha-aspartyl-N-({[(tert-butoxycarbonyl)amino]oxy}acetyl)-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenylalaninamidePentagastrin Impurity 74L-Phenylalaninamide, N-[[[[(1,1-dimethylethoxy)carbonyl]amino]oxy]acetyl]-L-tryptophyl-L-methionyl-L-α-aspartyl- (9CI)
Show more names
(3S)-3-[[(1S)-1-carbamoyl-2-phenyl-ethyl]carbamoyl]-3-[[(2S)-2-[[(2S)- 3-(1H-indol-3-yl)-2-[[2-(tert-butoxycarbonylamino)oxyacetyl]amino]prop anoyl]amino]-4-methylsulfanyl-butanoyl]amino]propanoic acid
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 285 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 22
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,310
Chemistry & industry
Suppliers1 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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