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L-cis-Cyclo(aspartylphenylalanyl)

PropertiesImage
MNX_IDMNXM127144 Image of MNXM127144
referencechebi:168231
formulaC13H14N2O4
global charge0
mol weight262.265
InChIKeyVNHJXYUDIBQDDX-UHFFFAOYSA-N
InChIInChI=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)
SMILESO=C(O)CC1NC(=O)C(CC2=CC=CC=C2)NC1=O
MNX internals
InChI (mnx)InChI=1/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? Image of MNXM127144
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][CH:9]2[C:12]([OH:18])=[N:15][CH:10]([CH2:7][C:11](=[O:16])[OH:17])[C:13]([OH:19])=[N:14]2)[CH:5]=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:168231
chebi:168231
VNHJXYUDIBQDDX-UHFFFAOYSA-N 		L-cis-Cyclo(aspartylphenylalanyl)
2-(5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid
hmdb:HMDB0031360
VNHJXYUDIBQDDX-UHFFFAOYSA-N 		L-cis-Cyclo(aspartylphenylalanyl)
(2S-cis)-(-)-5-Benzyl-3,6-dioxo-2-piperazineacetic acid
(2S-cis)-5-Benzyl-3,6-dioxopiperazine-2-acetic acid
(5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid
2-(5-Benzyl-3,6-dihydroxy-2,5-dihydropyrazin-2-yl)acetate
2-(5-benzyl-3,6-dioxopiperazin-2-yl)acetic acid
3-CMB-DKP
3-Carboxymethyl-6-benzyl-2,5-diketopiperazine
3-Phenylmethyl-2,5-diketopiperazine-6-acetic acid
Cyclo(aspartyl-phenylalanyl)
L-cis-3,6-Dioxo-5-(phenylmethyl)-2-piperazineacetic acid
L-cis-5-Benzyl-3,6-dioxo-2-piperazineacetic acid
L-cis-5-Benzyldiketopiperazine-2-acetic acid
L-cis-Cyclo(phenylalanylaspartyl)

hmdb:HMDB31360 		secondary/obsolete/fantasy identifier