L-Arginine, mono[(2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl butanedioate]

CAS Registry Number®

34327-18-9
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CAS Name

L-Arginine, mono[(2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl butanedioate]

Molecular Formula

C15H16Cl2N2O8.C6H14N4O2

Cite this Page

L-Arginine, mono[(2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl butanedioate].   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=34327-18-9 (retrieved 2024-05-16) (CAS RN: 34327-18-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    135-145 °C (decomp)

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C15H16Cl2N2O8.C6H14N4O2/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26;7-4(5(11)12)2-1-3-10-6(8)9/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t10-,13-;4-/m10/s1

InChIKey

InChIKey=VVVYDMROIIOUOA-PZMRBAAZSA-N

SMILES

[C@@H]([C@H](O)C1=CC=C(N(=O)=O)C=C1)(NC(C(Cl)Cl)=O)COC(CCC(O)=O)=O.C(CCNC(=N)N)[C@@H](C(O)=O)N

Canonical SMILES

O=C(O)CCC(=O)OCC(NC(=O)C(Cl)Cl)C(O)C1=CC=C(C=C1)N(=O)=O.O=C(O)C(N)CCCNC(=N)N

Other Names for this Substance

  • L-Arginine, mono[(2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl butanedioate]
  • Succinic acid, α-monoester with D-threo-(-)-2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-nitrophenethyl]acetamide, compd. with L-arginine (1:1)
  • L-Arginine, mono[[R-(R*,R*)]-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl butanedioate]
  • Butanedioic acid, mono[2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester, [R-(R*,R*)]-, compd. with L-arginine (1:1)
  • Butanedioic acid, mono[(2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] ester, compd. with L-arginine (1:1)

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