(Q27291678)

147103-96-6 (English)

14 October 2016

chemical formula

C₁₆H₁₉N₃O₆S

1 reference

147103-96-6 (English)

14 October 2016

canonical SMILES

CC1CSC(N=C1C(=O)O)C(C(=O)O)NC(=O)C(C2=CC=C(C=C2)O)N

1 reference

147103-96-6 (English)

14 October 2016

isomeric SMILES

CC1CS[C@@H](N=C1C(=O)O)[C@@H](C(=O)O)NC(=O)[C@@H](C2=CC=C(C=C2)O)N

1 reference

147103-96-6 (English)

InChI=1S/C16H19N3O6S/c1-7-6-26-14(19-11(7)15(22)23)12(16(24)25)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,7,10,12,14,20H,6,17H2,1H3,(H,18,21)(H,22,23)(H,24,25)/t7?,10-,12+,14-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

147103-96-6 (English)

SGGNURHBTCABDM-FBTHNIEXSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

147103-96-6 (English)

14 October 2016

1 reference

UNII

V90Y86LJ0K

(2R,5rs)-2-((R)-(((2R)-2-amino-2-(4-hydroxyphenyl)acetyl)amino)carboxymethyl)-5-methyl-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid (English)

14 October 2016

1 reference

(2R)-2-[(R)-{[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino}(carboxy)methyl]-5-methyl-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid (English)

14 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

147103-96-6 (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

V90Y86LJ0K