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Glycine, N-(N-L-gamma-glutamyl-3-thiiranio-L-alanyl)-, bromide

HCID 159078
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Basic information

CAS
87367-18-8
Standard SMILES
N[C@@H](CCC(=O)N[C@@H](C[S+]1CC1)C(=O)NCC(=O)O)C(=O)O.[Br-]
InChIKey
RENZRBHJUXLQEE-WSZWBAFRSA-N
Molecular formula
C12H20BrN3O6S
Average molar mass
414.28 g/mol
Monoisotopic mass
413.02562

Names & identifiers

Preferred name
Glycine, N-(N-L-gamma-glutamyl-3-thiiranio-L-alanyl)-, bromide
IUPAC
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-(thiiran-1-ium-1-yl)propan-2-yl]amino]-5-oxopentanoic acid bromide

Names & synonyms

87367-18-8Glycine, N-(N-L-gamma-glutamyl-3-thiiranio-L-alanyl)-, bromide

Database identifiers

CAS
87367-18-8
PubChem CID
159078

Properties

Computed structural properties

Topological polar surface area
160 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
8
Rotatable bonds
10
Heavy atoms
23
Formal charge
0
Complexity
454

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