enkephalinamide-Met, Ala(2)-N-Me(5)-
Basic information
- CAS
66960-34-7- Standard SMILES
CN[C@@H](CCSC)C(=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1- InChIKey
SVEWNGAVTOVJOT-JMBSJVKXSA-N- Molecular formula
- C29H40N6O6S
- Average molar mass
- 600.7 g/mol
- Monoisotopic mass
- 600.27300419
Names & identifiers
- Preferred name
- enkephalinamide-Met, Ala(2)-N-Me(5)-
- IUPAC
- (2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-2-(methylamino)-4-methylsulfanylbutanamide
- English name
- enkephalinamide-Met, Ala(2)-N-Me(5)-
- Molecular formula
- C29H40N6O6S
- Molecular weight
- 600.73
Names & synonyms
Danmme72719-77-8L-Tyrosyl-D-alanylglycyl-L-phenylalanyl-N-methyl-L-methioninamide2-Ala-5-N-methyl-met-enkephalinamideEnkephalinamide-met, ala(2)-N-Me(5)-Met-enkephalinamide, ala(2)-N-Me(5)-Enkephalinamide-met, alanyl(2)-N-methyl(5)-Methionine-enkephalinamide, ala(2)-N-Me(5)-L-Methioninamide, L-tyrosyl-D-alanylglycyl-L-phenylalanyl-N-methyl-RefChem:136934(2S)-N-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]-2-(methylamino)-4-methylsulfanylbutanamideDTXSID30985694
Show more names
L-Methioninamide, L-tyrosyl-D-alanylglycyl-L-phenylalanyl-N-methyl- (9CI)
NS00125446(2S)-N-[N-(2-{[(2R)-2-{[(2S)-2-Amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-1-hydroxypropylidene]amino}-1-hydroxyethylidene)-L-phenylalanyl]-2-(methylamino)-4-(methylsulfanyl)butanimidic acid
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 217 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 16
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 894
Physicochemical properties
- Boiling point
- 1062.7 · 1062.7±65.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.15(Predicted)
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Related reactions
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Compound notes
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