MilliporeSigma
All Photos(1)

472247

Sigma-Aldrich

N-[3-(Acetylthio)-(2S)-methylpropionyl]-L-proline hydrate

97%

Empirical Formula (Hill Notation):
C11H17NO4S · xH2O
CAS Number:
Molecular Weight:
259.32 (anhydrous basis)
EC Number:
MDL number:
PubChem Substance ID:

assay

97%

optical activity

[α]21/D −158°, c = 1 in methanol

mp

76-82 °C (lit.)

SMILES string

O.C[C@H](CSC(C)=O)C(=O)N1CCC[C@H]1C(O)=O

InChI

1S/C11H17NO4S.H2O/c1-7(6-17-8(2)13)10(14)12-5-3-4-9(12)11(15)16;/h7,9H,3-6H2,1-2H3,(H,15,16);1H2/t7-,9+;/m1./s1

InChI key

WOOVUTUKNLXXPF-JXLXBRSFSA-N

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