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3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-diketopiperazine

Properties

Image

Occurences in reactions

MNX_ID

MNXM147770

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₂H₃₀N₆O₉S₂

charge

mass

586.15157

reference

metacycM:CPD-17047

InChIKey

CHBULTTUDAIWDP-HCIHMXRSSA-N

InChI

InChI=1S/C22H30N6O9S2/c23-13(17(34)25-7-15(30)31)9-38-21(6-12-4-2-1-3-5-12)19(36)28-22(11-29,20(37)27-21)39-10-14(24)18(35)26-8-16(32)33/h1-5,13-14,29H,6-11,23-24H2,(H,25,34)(H,26,35)(H,27,37)(H,28,36)(H,30,31)(H,32,33)/t13-,14-,21+,22+/m0/s1

SMILES

[NH3+][C@@H](CS[C@@]1(CO)NC(=O)[C@@](Cc2ccccc2)(SC[C@H]([NH3+])C(=O)NCC(=O)[O-])NC1=O)C(=O)NCC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-17047 metacycM:CPD-17047	3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-diketopiperazine 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-DKP 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)piperazine-2,5-dione
seed.compound:cpd31394 seedM:cpd31394	3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-DKP 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-diketopiperazine 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)piperazine-2,5-dione
seedM:M_cpd31394	secondary/obsolete/fantasy identifier