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

Chemical Formula:

C₁₈H₂₄N₄O₇S₂

Molecular Weight:

472.53 Daltons

Monoisotopic Mass:

474.12429059010003 Daltons

SMILES:

C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C([O-])=O)[N+])(CO)NC(=O)2))C(C([O-])=O)[N+]

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

InChIKey:

ZPOFJAVUXVOPNI-YDOWWZDFSA-N

Synonyms

3-benzyl-3,6 -bis(cysteinyl)- 6-(hydroxymethyl)-DKP
3-benzyl-3,6 -bis(cysteinyl)- 6-(hydroxymethyl)piperazine-2,5-dione

Databases

MetaCyc: CPD-17048

PubChem (CID): 90658656

MetaNetX: MNXM147769