Basic information
- CAS
107531-14-6- Standard SMILES
C[C@@H](O)[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H](C)O- InChIKey
HZUXWTFTXZRVQJ-HHMSKVAWSA-N- Molecular formula
- C25H36N6O12
- Average molar mass
- 612.6 g/mol
- Monoisotopic mass
- 612.2391206
Overview
shows strong homology to the amino acid sequence (TTNYT) of the HIV external glycoprotein molecule, GP120
Names & identifiers
- Preferred name
- Vasoactive intestinal peptide (7-11)
- IUPAC
- (3S)-4-[[(2S)-4-amino-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
- English name
- vasoactive intestinal peptide (7-11)
- Molecular formula
- C25H36N6O12
- Molecular weight
- 612.58634
Names & synonyms
Vasoactive intestinal peptide (7-11)107531-14-6Vip (7-11)RefChem:193796DTXSID70910349(3S)-4-[[(2S)-4-amino-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-oxobutanoic acidL-Threonine, N-(N-(N2-(N-L-threonyl-L-alpha-aspartyl)-L-asparaginyl)-L-tyrosyl)-N-[(2S)-2-{[(2S)-2-{[(2S)-2-{[(2S,3R)-2-Amino-1,3-dihydroxybutylidene]amino}-3-carboxy-1-hydroxypropylidene]amino}-1,4-dihydroxy-4-iminobutylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene]-L-threonineN-[2-{[2-({2-[(2-Amino-1,3-dihydroxybutylidene)amino]-3-carboxy-1-hydroxypropylidene}amino)-1,4-dihydroxy-4-iminobutylidene]amino}-1-hydroxy-3-(4-hydroxyphenyl)propylidene]threonineL-Threonine, L-threonyl-L-α-aspartyl-L-asparaginyl-L-tyrosyl- (9CI)
Database identifiers
- CAS
107531-14-6- PubChem CID
- 129882
Properties
Computed structural properties
- XLogP
- -6.4
- Topological polar surface area
- 321 Ų
- Hydrogen bond donors
- 11
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 17
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- Boiling point
- 1255 · 1255.0±65.0 °C(Predicted)
- Density
- 1.471 · 1.471±0.06 g/cm3(Predicted)
- pka
- 3.21 · 3.21±0.10(Predicted)
Chemistry & industry
Suppliers4 total
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
南京莱昂生物科技有限公司025-84523390 -127; 17705183659 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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