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

Properties

Image

Occurences in reactions

MNX_ID

MNXM147769

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

formula

C₁₈H₂₄N₄O₇S₂

charge

mass

472.10864

reference

metacycM:CPD-17048

InChIKey

ZPOFJAVUXVOPNI-YDOWWZDFSA-N

InChI

InChI=1S/C18H24N4O7S2/c19-11(13(24)25)7-30-17(6-10-4-2-1-3-5-10)15(28)22-18(9-23,16(29)21-17)31-8-12(20)14(26)27/h1-5,11-12,23H,6-9,19-20H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)/t11-,12-,17+,18+/m0/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-17048 metacycM:CPD-17048	3-benzyl-3,6 -bis(cysteinyl)- 6-(hydroxymethyl)-diketopiperazine 3-benzyl-3,6 -bis(cysteinyl)- 6-(hydroxymethyl)-DKP 3-benzyl-3,6 -bis(cysteinyl)- 6-(hydroxymethyl)piperazine-2,5-dione
seed.compound:cpd34662 seedM:cpd34662	3-benzyl-3,6 -bis(cysteinyl)- 6-(hydroxymethyl)-DKP 3-benzyl-3,6 -bis(cysteinyl)- 6-(hydroxymethyl)-diketopiperazine 3-benzyl-3,6 -bis(cysteinyl)- 6-(hydroxymethyl)piperazine-2,5-dione
seedM:M_cpd34662	secondary/obsolete/fantasy identifier