Peptide II (aplysia)

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Basic information

CAS: 101849-76-7
Standard SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O
InChIKey: QYUQPAYOTYTREY-PTAVKHPPSA-N
Molecular formula: C56H88N14O20S
Average molar mass: 1,309.4 g/mol
Monoisotopic mass: 1,308.60200243

Overview

11-amino acid peptide; end product of precursor processing in cells R3-R14 of Aplysia; found in abdominal ganglion neurons

Names & identifiers

Preferred name: Peptide II (aplysia)
IUPAC: (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoic acid
English name: peptide II (Aplysia)
Molecular formula: C56H88N14O20S
Molecular weight: 1309.44

Names & synonyms

Peptide II (aplysia)101849-76-7Glu-ala-glu-glu-pro-ser-phe-met-thr-arg-leuDTXSID20144273RefChem:171560DTXCID3066764Peptide II (Aplysia californica R3-R14 neuron)L-alpha-Glutamyl-L-alanyl-L-alpha-glutamyl-L-alpha-glutamyl-L-prolyl-L-seryl-L-phenylalanyl-L-methionyl-L-threonyl-N~5~-(diaminomethylidene)-L-ornithyl-L-leucinePeptide II (Aplysia californica R3-R14 neuron) (9CI)

Database identifiers

CAS: 101849-76-7
PubChem CID: 5487943
DTXSID: DTXSID20144273

Properties

Computed structural properties

XLogP: -6.1
Topological polar surface area: 588 Å²
Hydrogen bond donors: 18
Hydrogen bond acceptors: 23
Rotatable bonds: 42
Heavy atoms: 91
Formal charge: 0
Complexity: 2,550

Physicochemical properties

Density: 1.49 · 1.49±0.1 g/cm3(Predicted)
pka: 3.38 · 3.38±0.10(Predicted)

Related reactions

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Compound notes

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