CAS Registry Number®
219921-94-5
CAS Name
L-Glutamic acid, N-acetyl-, compd. with (αS)-α-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine (1:1)
Molecular Formula
C16H26N2.C7H11NO5
Compound Properties
-
Melting Point (1)
169-171 °C
Source(s)
- (1) Kolla, Naveenkumar; Chimia, (2006), 60(9), 593-597, CAplus
Other Names and Identifiers
InChI
InChI=1S/C16H26N2.C7H11NO5/c1-13(2)12-15(17)14-8-4-5-9-16(14)18-10-6-3-7-11-18;1-4(9)8-5(7(12)13)2-3-6(10)11/h4-5,8-9,13,15H,3,6-7,10-12,17H2,1-2H3;5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t15-;5-/m00/s1
InChIKey
InChIKey=YPDMBMNFFPWTOV-NXMISADUSA-N
SMILES
[C@@H](CC(C)C)(N)C1=C(C=CC=C1)N2CCCCC2.[C@@H](CCC(O)=O)(NC(C)=O)C(O)=O
Canonical SMILES
O=C(O)CCC(NC(=O)C)C(=O)O.NC(C=1C=CC=CC1N2CCCCC2)CC(C)C
Other Names for this Substance
- L-Glutamic acid, N-acetyl-, compd. with (αS)-α-(2-methylpropyl)-2-(1-piperidinyl)benzenemethanamine (1:1)
- Benzenemethanamine, α-(2-methylpropyl)-2-(1-piperidinyl)-, (αS)-, N-acetyl-L-glutamate (1:1)
Deleted or Replaced CAS Registry Numbers
947515-69-7
