1-(Ethoxycarbonyl)-2-[(ethoxycarbonyl)thio]-N,N-dimethyl-L-histidine methyl ester

CAS Registry Number®

162138-72-9
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CAS Name

1-(Ethoxycarbonyl)-2-[(ethoxycarbonyl)thio]-N,N-dimethyl-L-histidine methyl ester

Molecular Formula

C15H23N3O6S

Molecular Mass

373.42

Cite this Page

1-(Ethoxycarbonyl)-2-[(ethoxycarbonyl)thio]-N,N-dimethyl-L-histidine methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=162138-72-9 (retrieved 2024-08-09) (CAS RN: 162138-72-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C15H23N3O6S/c1-6-23-14(20)18-9-10(8-11(17(3)4)12(19)22-5)16-13(18)25-15(21)24-7-2/h9,11H,6-8H2,1-5H3/t11-/m0/s1

InChIKey

InChIKey=UBOPOYZHEHKAKR-NSHDSACASA-N

SMILES

C(OCC)(=O)N1C(SC(OCC)=O)=NC(C[C@@H](C(OC)=O)N(C)C)=C1

Canonical SMILES

O=C(OCC)SC1=NC(=CN1C(=O)OCC)CC(C(=O)OC)N(C)C

Other Names for this Substance

  • L-Histidine, 1-(ethoxycarbonyl)-2-[(ethoxycarbonyl)thio]-N,N-dimethyl-, methyl ester
  • 1-(Ethoxycarbonyl)-2-[(ethoxycarbonyl)thio]-N,N-dimethyl-L-histidine methyl ester