Basic information
- CAS
129960-91-4- Standard SMILES
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1C=NC=N1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCC(=O)N1)C(C)C)C(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O- InChIKey
LADSVQPEERQONB-RMWOQXJUSA-N- Molecular formula
- C58H84N16O14
- Average molar mass
- 1,229.4 g/mol
- Monoisotopic mass
- 1,228.63529142
Overview
isolated from the central nervous system of Manduca sexta
Names & identifiers
- Preferred name
- FLRLamide, Manduca
- IUPAC
- (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxo-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid
- English name
- FLRLamide, Manduca
- Molecular formula
- C58H84N16O14
- Molecular weight
- 1229.39
Names & synonyms
Flrlamide, manducaMasflrfamide I(Manduca)flrfamidePedvvhsflrf-NH2129960-91-4Glu-asp-val-val-his-ser-phe-leu-arg-phe-Nh2RefChem:1407864-L-Valine-6-L-serineleucomyosuppressinLeucomyosuppressin, 4-L-valine-6-L-serine-(6S,9S,12S,15S,18S,21S,24S,27S)-18-((4H-imidazol-4-yl)methyl)-1-amino-6-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-12-benzyl-15-(hydroxymethyl)-1-imino-9-isobutyl-21,24-diisopropyl-8,11,14,17,20,23,26-heptaoxo-27-((S)-5-oxopyrrolidine-2-carboxamido)-2,7,10,13,16,19,22,25-octaazanonacosan-29-oic acidL-Phenylalaninamide, 5-oxo-L-prolyl-L-α-aspartyl-L-valyl-L-valyl-L-histidyl-L-seryl-L-phenylalanyl-L-leucyl-L-arginyl-
Database identifiers
- CAS
129960-91-4- PubChem CID
- 3083136
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 481 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 36
- Heavy atoms
- 88
- Formal charge
- 0
- Complexity
- 2,530
Physicochemical properties
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 4.19 · 4.19±0.10(Predicted)
Chemistry & industry
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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