N-[(2R)-2-Hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-β-alanyl-L-cysteine

CAS Registry Number®

7196-09-0

CAS Name

N-[(2R)-2-Hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-β-alanyl-L-cysteine

Molecular Formula

C12H23N2O9PS

Molecular Mass

402.36

Cite this Page

N-[(2R)-2-Hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-β-alanyl-L-cysteine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7196-09-0 (retrieved 2024-11-23) (CAS RN: 7196-09-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)/t7-,9-/m0/s1

InChIKey

InChIKey=XQYALQVLCNHCFT-CBAPKCEASA-N

SMILES

[C@@H](C(COP(=O)(O)O)(C)C)(C(NCCC(N[C@H](C(O)=O)CS)=O)=O)O

Canonical SMILES

O=C(O)C(NC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CS

Other Names for this Substance

  • L-Cysteine, N-[(2R)-2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-β-alanyl-
  • Cysteine, N-D-pantothenoyl-, 4-(dihydrogen phosphate), L-
  • L-Cysteine, N-[N-[2-hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-β-alanyl]-, (R)-
  • L-Cysteine, (2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl-β-alanyl-
  • N-[(2R)-2-Hydroxy-3,3-dimethyl-1-oxo-4-(phosphonooxy)butyl]-β-alanyl-L-cysteine

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Deleted or Replaced CAS Registry Numbers

13147-29-0, 25527-31-5, 1195298-33-9

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