3-Phenyllactyl-leucyl-arginyl-asparaginamide
Basic information
- CAS
129536-35-2- Standard SMILES
CC(C)C[C@H](NC(=O)[C@@H](O)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O- InChIKey
VBBCPCFOGODDDM-VJANTYMQSA-N- Molecular formula
- C25H40N8O6
- Average molar mass
- 548.6 g/mol
- Monoisotopic mass
- 548.30708103
Overview
3-Phenyllactyl-leucyl-arginyl-asparaginamide has been reported in Anthopleura elegantissima with data available.
Names & identifiers
- Preferred name
- 3-Phenyllactyl-leucyl-arginyl-asparaginamide
- IUPAC
- (2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanediamide
- English name
- 3-phenyllactyl-leucyl-arginyl-asparaginamide
- Molecular formula
- C25H40N8O6
- Molecular weight
- 548.65
Names & synonyms
Antho-rnamide3-Phenyllactyl-leucyl-arginyl-asparaginamide129536-35-23-Phenyllactyl-leu-arg-asn-NH2(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]amino]butanediamide(2S)-2-(((2S)-5-(diaminomethylideneamino)-2-(((2S)-2-(((2S)-2-hydroxy-3-phenylpropanoyl)amino)-4-methylpentanoyl)amino)pentanoyl)amino)butanediamideRefChem:95334DTXSID10926429(S)-N-(2-Hydroxy-1-oxo-3-phenylpropyl)-L-leucyl-L-arginyl-L-aspartamideL-Aspartamide, N-(2-hydroxy-1-oxo-3-phenylpropyl)-L-leucyl-L-arginyl-, (S)-(2S)-2-{[(2S)-5-(Carbamimidoylamino)-2-{[(2S)-2-{[(2S)-1,2-dihydroxy-3-phenylpropylidene]amino}-1-hydroxy-4-methylpentylidene]amino}-1-hydroxypentylidene]amino}butanediimidic acid2-{[5-Carbamimidamido-2-({2-[(1,2-dihydroxy-3-phenylpropylidene)amino]-1-hydroxy-4-methylpentylidene}amino)-1-hydroxypentylidene]amino}butanediimidic acid
Show more names
L-β-Phenyllactoyl-Leu-Arg-Asn-NH2 · HClL-b-Phenyllactoyl-Leu-Arg-Asn-NH2 · HCl
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 258 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 871
Physicochemical properties
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 13.11 · 13.11±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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