Basic information
- CAS
97207-35-7- Standard SMILES
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NO- InChIKey
OURDFPXUSNAUQM-PMACEKPBSA-N- Molecular formula
- C25H32N4O6
- Average molar mass
- 484.5 g/mol
- Monoisotopic mass
- 484.23218475
Overview
substance P antagonist
Names & identifiers
- Preferred name
- tert-Butyloxycarbonyl-phenylalanyl-phenylalanyl-glycine hydroxylamine
- IUPAC
- tert-butyl N-[(2S)-1-[[(2S)-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
- English name
- tert-butyloxycarbonyl-phenylalanyl-phenylalanyl-glycine hydroxylamine
- Molecular formula
- C25H32N4O6
- Molecular weight
- 484.55
Names & synonyms
Boc-phe-phe-gly-nhoh97207-35-7tert-Butyloxycarbonyl-phenylalanyl-phenylalanyl-glycine hydroxylamineRefChem:188266DTXSID60914058(6S,9S)-6,9-Dibenzyl-N,4,7,10-tetrahydroxy-2,2-dimethyl-3-oxa-5,8,11-triazatrideca-4,7,10-trien-13-imidic acid6,9-Dibenzyl-N,4,7,10-tetrahydroxy-2,2-dimethyl-3-oxa-5,8,11-triazatrideca-4,7,10-trien-13-imidic acid
Database identifiers
- CAS
97207-35-7- PubChem CID
- 126271
- DTXSID
DTXSID60914058- Nikkaji
- J490.756F
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 711
Physicochemical properties
- Density
- 1.233 · 1.233±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.102 · 9.102±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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