Summary

IMPPAT Phytochemical identifier: IMPHY000456

Phytochemical name: Gamma glutamyl-s-methylcysteinyl-beta-alanine

Synonymous chemical names:
gamma glutamyl-s-methylcysteinyl-beta-alanine

Chemical structure information

SMILES:
CSC[C@@H](C(=O)NCCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N

InChI:
InChI=1S/C12H21N3O6S/c1-22-6-8(11(19)14-5-4-10(17)18)15-9(16)3-2-7(13)12(20)21/h7-8H,2-6,13H2,1H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)/t7-,8-/m0/s1

InChIKey:
MSEXKIKRSMQHDG-YUMQZZPRSA-N

DeepSMILES:
CSC[C@@H]C=O)NCCC=O)O))))))NC=O)CC[C@@H]C=O)O))N

Functional groups:
CC(=O)NC, CC(=O)O, CN, CNC(C)=O, CSC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Peptidomimetics

ClassyFire Subclass: Hybrid peptides

NP Classifier Biosynthetic pathway: Amino acids and Peptides

NP Classifier Superclass: Small peptides

NP Classifier Class: Dipeptides

NP-Likeness score: 0.206

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Chemical structure download