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N-(tert-Butoxycarbonyl)-L-alanylglycyl-L-valine

HCID 71444827
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
56133-97-2
Standard SMILES
CC(C)[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)O
InChIKey
LLTILPUFPMLYDQ-ONGXEEELSA-N
Molecular formula
C15H27N3O6
Average molar mass
345.39 g/mol
Monoisotopic mass
345.18998559

Names & identifiers

Preferred name
N-(tert-Butoxycarbonyl)-L-alanylglycyl-L-valine
IUPAC
(2S)-3-methyl-2-[[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]butanoic acid

Names & synonyms

56133-97-2N-(tert-Butoxycarbonyl)-L-alanylglycyl-L-valineDTXSID00853578

Database identifiers

CAS
56133-97-2
PubChem CID
71444827
DTXSID
DTXSID00853578

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
134 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
24
Formal charge
0
Complexity
484

Related reactions

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Compound notes

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