Jmv 332
Basic information
- CAS
130582-12-6- Standard SMILES
CC(=O)N[C@@H](CCCCNC(=O)/C=C\C=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O- InChIKey
JNQNDSFNKLHQAZ-ZZTWKDBPSA-N- Molecular formula
- C44H58N10O11
- Average molar mass
- 903 g/mol
- Monoisotopic mass
- 902.4286527
Overview
cyclic analog of the C-terminal hexapeptide of CCK; functions as CCK/gastrin receptor agonist
Names & identifiers
- Preferred name
- Jmv 332
- IUPAC
- (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-acetamido-6-[[(Z)-4-oxobut-2-enoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-aminohexanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
- English name
- JMV 332
- Molecular formula
- C44H58N10O11
- Molecular weight
- 903.01
Names & synonyms
Jmv 332130582-12-6Jmv-332L-Phenylalaninamide, N2-acetyl-N6-(3-carboxy-1-oxopropyl)-L-lysylglycyl-L-tryptophyl-L-lysyl-L-alpha-aspartyl-, cyclic (1-4)-peptideRefChem:150513(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-acetamido-6-[[(Z)-4-oxobut-2-enoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-aminohexanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acidL-Phenylalaninamide, N2-acetyl-N6-(3-carboxy-1-oxopropyl)-L-lysylglycyl-L-tryptophyl-L-lysyl-L-α-aspartyl-, cyclic (1→4)-peptide (9CI)(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-acetamido-6-[[(~{Z})-4-oxobut-2-enoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-6-aminohexanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Database identifiers
- CAS
130582-12-6- PubChem CID
- 6444167
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 343 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 29
- Heavy atoms
- 65
- Formal charge
- 0
- Complexity
- 1,670
Physicochemical properties
- Boiling point
- 1479.9 · 1479.9±65.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 4.2 · 4.20±0.10(Predicted)
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Compound notes
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