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
C19H23N5O7Molecular Mass
433.42Cite 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 ) (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