N-[N-[2-amino-6-oxo-hexanoic acid-6-yl]cysteinyl]-S-methylcysteine (Q27457206)

N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE (English)

19 October 2016

chemical formula

C₁₃H₂₄N₃O₆S₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CSCC(C(=O)O)NC(=O)C(CS)NC(=O)CCCC(C(=O)O)[NH3+]

1 reference

N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE (English)

19 October 2016

isomeric SMILES

CSC[C@H](C(=O)O)NC(=O)[C@H](CS)NC(=O)CCC[C@@H](C(=O)O)[NH3+]

1 reference

N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE (English)

InChI=1S/C13H23N3O6S2/c1-24-6-9(13(21)22)16-11(18)8(5-23)15-10(17)4-2-3-7(14)12(19)20/h7-9,23H,2-6,14H2,1H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/p+1/t7-,8-,9+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE (English)

FTCBRKCNMSXWJP-XHNCKOQMSA-O

19 October 2016

InChIKey

1 reference

N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE (English)

19 October 2016

1 reference

N-[(5S)-5-Ammonio-5-carboxypentanoyl]-L-cysteinyl-S-methyl-D-cysteine (English)

19 October 2016

2 references

N-[N-[2-AMINO-6-OXO-HEXANOIC ACID-6-YL]CYSTEINYL]-S-METHYLCYSTEINE (English)

matched by identifier from

19 October 2016

InChIKey

FTCBRKCNMSXWJP-XHNCKOQMSA-O

1 reference

0 references

1 reference

1QIQ (English)