2-(((2R)-2-amino-2-carboxyethyl)thio)butanedioic acid 2-methyl ester (Q27270670)

2-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-4-methoxy-4-oxobutanoic acid (English)

14 October 2016

chemical formula

C₈H₁₃NO₆S

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

COC(=O)CC(C(=O)O)SCC(C(=O)O)N

1 reference

2-(((2R)-2-amino-2-carboxyethyl)thio)butanedioic acid 2-methyl ester (English)

14 October 2016

isomeric SMILES

COC(=O)CC(C(=O)O)SC[C@@H](C(=O)O)N

1 reference

2-(((2R)-2-amino-2-carboxyethyl)thio)butanedioic acid 2-methyl ester (English)

InChI=1S/C8H13NO6S/c1-15-6(10)2-5(8(13)14)16-3-4(9)7(11)12/h4-5H,2-3,9H2,1H3,(H,11,12)(H,13,14)/t4-,5?/m0/s1

14 October 2016

Identifiers

InChI

1 reference

2-(((2R)-2-amino-2-carboxyethyl)thio)butanedioic acid 2-methyl ester (English)

MIUFXQAREUEISL-ROLXFIACSA-N

14 October 2016

InChIKey

1 reference

2-(((2R)-2-amino-2-carboxyethyl)thio)butanedioic acid 2-methyl ester (English)

14 October 2016

1 reference

matched by identifier from

2-{[(2R)-2-Amino-2-carboxyethyl]sulfanyl}-4-methoxy-4-oxobutanoic acid (English)

14 October 2016

2 references

26 December 2021

InChIKey

MIUFXQAREUEISL-ROLXFIACSA-N

1 reference

2 references

2-(((2R)-2-amino-2-carboxyethyl)thio)butanedioic acid 2-methyl ester (English)