(2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoate
Basic information
- CAS
21438-63-1- Standard SMILES
CSCC[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)[O-]- InChIKey
BVZABQIRMYTKCF-JSGCOSHPSA-N- Molecular formula
- C16H21N3O3S
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.13036271
Names & identifiers
- Preferred name
- (2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoate
- IUPAC
- (2S)-2-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoate
- English name
- H-Trp-Met-OH
- Molecular formula
- C16H21N3O3S
- Molecular weight
- 335.42
Names & synonyms
WMH-Trp-Met-OHH2N-Trp-Met-COOHL-Tryptophyl-L-methionineL-Methionine, L-tryptophyl-(S)-2-((S)-2-Amino-3-(1H-indol-3-yl)propanamido)-4-(methylthio)butanoic acid(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoicacid
Database identifiers
- CAS
21438-63-1- PubChem CID
- 7020172
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 689.6 · 689.6±55.0 °C(Predicted)
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 3.06 · 3.06±0.10(Predicted)
- Sequence
- Trp-Met
Chemistry & industry
Additional notes
DefinitionChEBI: Trp-Met is a peptide.
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