D-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-3-(2,4-dinitrophenyl)-, compd. with 2-propanol (1:1)

CAS Registry Number®

204125-03-1
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CAS Name

D-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-3-(2,4-dinitrophenyl)-, compd. with 2-propanol (1:1)

Molecular Formula

C17H19N5O8.C3H8O

Cite this Page

D-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-3-(2,4-dinitrophenyl)-, compd. with 2-propanol (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=204125-03-1 (retrieved 2024-07-08) (CAS RN: 204125-03-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H19N5O8.C3H8O/c1-17(2,3)30-16(25)19-12(15(23)24)6-11-8-18-9-20(11)13-5-4-10(21(26)27)7-14(13)22(28)29;1-3(2)4/h4-5,7-9,12H,6H2,1-3H3,(H,19,25)(H,23,24);3-4H,1-2H3/t12-;/m1./s1

InChIKey

InChIKey=JIPXPRCGGOALQD-UTONKHPSSA-N

SMILES

C([C@@H](NC(OC(C)(C)C)=O)C(O)=O)C=1N(C=NC1)C2=C(N(=O)=O)C=C(N(=O)=O)C=C2.C(C)(C)O

Canonical SMILES

O=C(OC(C)(C)C)NC(C(=O)O)CC1=CN=CN1C2=CC=C(C=C2N(=O)=O)N(=O)=O.OC(C)C

Other Names for this Substance

  • D-Histidine, N-[(1,1-dimethylethoxy)carbonyl]-3-(2,4-dinitrophenyl)-, compd. with 2-propanol (1:1)
  • 2-Propanol, compd. with N-[(1,1-dimethylethoxy)carbonyl]-3-(2,4-dinitrophenyl)-D-histidine (1:1)