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(N(5)-phosphono)methionine-S-sulfoximinyl-alanyl-alanine

HCID 99709
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Basic information

CAS
41928-08-9
Standard SMILES
C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCS(C)(=O)=NP(=O)(O)O)C(=O)O
InChIKey
BLHBHYHQDXRTCR-YZOLAJFCSA-N
Molecular formula
C11H23N4O8PS
Average molar mass
402.36 g/mol
Monoisotopic mass
402.09742188

Overview

L-(N5-Phosphono)methionine-S-sulfoximinyl-L-alanyl-L-alanine has been reported in Streptomyces with data available.

Names & identifiers

Preferred name
(N(5)-phosphono)methionine-S-sulfoximinyl-alanyl-alanine
IUPAC
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(S-methyl-N-phosphonosulfonimidoyl)butanoyl]amino]propanoyl]amino]propanoic acid

Names & synonyms

(N(5)-Phosphono)-met-S-sulfoximinyl-ala-ala(N(5)-Phosphono)methionine-S-sulfoximinyl-alanyl-alanineRefChem:7016041928-08-9NSC 183742L-(N5-Phosphono)methionine-S-sulfoximinyl-L-alanyl-L-alanineL-(N(5)-phosphono)methionine-S-sulfoximinyl-L-alanyl-L-alanineL-Alanine, 4-(S-methyl-N-phosphonosulfonimidoyl)-L-2-aminobutanoyl-L-alanyl-

Database identifiers

CAS
41928-08-9
PubChem CID
99709

Properties

Computed structural properties

XLogP
-4.9
Topological polar surface area
217 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
10
Rotatable bonds
9
Heavy atoms
25
Formal charge
0
Complexity
684

Related reactions

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Compound notes

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