tert-Butyloxycarbonyl-phenylalanyl-leucyl-phenylalanyl-leucyl-phenylalanyl-OH

HCID 132822

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Basic information

CAS: 148182-34-7
Standard SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIKey: NGNZQSPFQJCBJQ-LTLCPEALSA-N
Molecular formula: C44H59N5O8
Average molar mass: 786 g/mol
Monoisotopic mass: 785.43636385

Names & identifiers

Preferred name: tert-Butyloxycarbonyl-phenylalanyl-leucyl-phenylalanyl-leucyl-phenylalanyl-OH
IUPAC: (2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acid
English name: BOC-PHE-D-LEU-PHE-D-LEU-PHE-OH
Molecular formula: C44H59N5O8
Molecular weight: 785.97

Names & synonyms

Boc-flflf148182-34-7tert-Butyloxycarbonyl-phenylalanyl-leucyl-phenylalanyl-leucyl-phenylalanyl-OHRefChem:18826573572-58-4Boc-Phe-Leu-Phe-Leu-Phe-OHBoc-phe(D)-leu-phe(D)-leu-phe-OH(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[[(2S)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-3-phenylpropanoic acidBOCPheLeuPheLeuPheL-Phenylalanine, N-(N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-D-phenylalanyl)-L-leucyl)-D-phenylalanyl)-L-leucyl)-MFCD00076350Boc2; Boc-FLFLF

Show more names

Boc-FLFLF, Boc-2BOC-PHE-LEU-PHE-LEU-PHEN-Boc-Phe-Leu-Phe-Leu-PheBOC-PHE-D-LEU-PHE-D-LEU-PHEN-T-BOC-PHE-LEU-PHE-LEU-PHEBOC-PHE-D-LEU-PHE-D-LEU-PHE-OHn-t-boc-phe-leu-phe-leu-phe,-20to0N-T-BOC-PHE-LEU-PHE-LEU-PHE MINIMUM 90% (HPLC)N(tert-BOC)-(phenylalanine-leucine)2-phenylalanine

BOC-PLPLPorb2802032SCHEMBL3046634NGNZQSPFQJCBJQ-LTLCPEALSA-NDTXSID601366063TP2924DA-58423FB111222

Database identifiers

CAS: 148182-34-7、73572-58-4
PubChem CID: 132822
DTXSID: DTXSID601366063
Nikkaji: J999.930B

Properties

Computed structural properties

XLogP: 6.6
Topological polar surface area: 192 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 8
Rotatable bonds: 22
Heavy atoms: 57
Formal charge: 0
Complexity: 1,300

Physicochemical properties

Boiling point: 1043.2 · 1043.2±65.0 °C(Predicted)
Density: 1.167 · 1.167±0.06 g/cm3(Predicted)
solubility: 0.1 · Chloroform: Slightly soluble: 0.1-1 mg/mlMethanol: Slightly soluble: 0.1-1 mg/ml
pka: 3.51 · 3.51±0.10(Predicted)
form: Solid