1,3-Piperazinediacetic acid, 4-[[[4-(aminoiminomethyl)benzoyl]amino]acetyl]-2-oxo-, α3-methyl ester, (3S)-

CAS Registry Number®

176655-58-6

CAS Name

1,3-Piperazinediacetic acid, 4-[[[4-(aminoiminomethyl)benzoyl]amino]acetyl]-2-oxo-, α3-methyl ester, (3S)-

Molecular Formula

C19H23N5O7

Molecular Mass

433.42

Cite this Page

1,3-Piperazinediacetic acid, 4-[[[4-(aminoiminomethyl)benzoyl]amino]acetyl]-2-oxo-, α3-methyl ester, (3S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=176655-58-6 (retrieved 2024-11-22) (CAS RN: 176655-58-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    278 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H23N5O7/c1-31-16(28)8-13-19(30)23(10-15(26)27)6-7-24(13)14(25)9-22-18(29)12-4-2-11(3-5-12)17(20)21/h2-5,13H,6-10H2,1H3,(H3,20,21)(H,22,29)(H,26,27)/t13-/m0/s1

InChIKey

InChIKey=CRFQJHNXTNBRQR-ZDUSSCGKSA-N

SMILES

C(C(OC)=O)[C@@H]1N(C(CNC(=O)C2=CC=C(C(=N)N)C=C2)=O)CCN(CC(O)=O)C1=O

Canonical SMILES

O=C(O)CN1C(=O)C(N(C(=O)CNC(=O)C2=CC=C(C=C2)C(=N)N)CC1)CC(=O)OC

Other Names for this Substance

  • 1,3-Piperazinediacetic acid, 4-[[[4-(aminoiminomethyl)benzoyl]amino]acetyl]-2-oxo-, α3-methyl ester, (3S)-
  • 1,3-Piperazinediacetic acid, 4-[[[4-(aminoiminomethyl)benzoyl]amino]acetyl]-2-oxo-, α3-methyl ester, (S)-
  • TAK 029

Deleted or Replaced CAS Registry Numbers

186909-94-4

CAS INSIGHTSTM
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