(2S-CIS)-(-)-5-BENZYL-3,6-DIOXO-2-PIPERAZINEACETIC ACID

CAS No.
5262-10-2
CCD No.
CCD00090489
Formula
C13 H14 N2 O4
MolWeight
262.264

Basic Information

Product Name: (2S-CIS)-(-)-5-BENZYL-3,6-DIOXO-2-PIPERAZINEACETIC ACID
CAS: 5262-10-2
English Synonyms: CYCLO(-ASP-PHE) ; (2S-CIS)-(-)-5-BENZYL-3,6-DIOXO-2-PIPERAZINEACETIC ACID ; (2S,5S)-5-BENZYL-3,6-DIOXO2-PIPERAZINEACETIC ACID ; ASPARTAME-RELATED COMPOUND A ; CYCLO(L-ASP-L-PHE) ; (3S)-CARBOXYMETHYL-(6S)-BENZYL-2,5-DIKETOPIPERAZINE
MDL Number.: MFCD00190764
H bond acceptor: 6
H bond donor: 3
Smile: c1ccc(cc1)C[C@H]2C(=O)N[C@H](C(=O)N2)CC(=O)O
InChi: InChI=1S/C13H14N2O4/c16-11(17)7-10-13(19)14-9(12(18)15-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,19)(H,15,18)(H,16,17)/t9-,10-/m0/s1
InChiKey: InChIKey=VNHJXYUDIBQDDX-UWVGGRQHSA-N

Property

Melting Point: 270-272 DEG C(LIT)
Comments: OPTICAL ACTIVITY: [ALPHA]20/D -9.0 DEG, C = 0.9 IN ACETIC ACID
UNSPSC: 12352100
WGK: 3

Safety information

Symbol: GHS07 GHS07
Signal word: Warning
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305 + P351 + P338
hazard symbol: Xi
Risk Code: R:36/37/38
Safe Code: S:26-36
WGK Germany: 3

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