[3-(3,4-methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine (Q27103669)

(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine (English)

5 October 2016

chemical formula

C₁₅H₁₈N₂O₆S

1 reference

(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine (English)

5 October 2016

canonical SMILES

C1C(C(N(C1C(=O)NCC(=O)O)O)CS)C2=CC3=C(C=C2)OCO3

1 reference

(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine (English)

5 October 2016

isomeric SMILES

C1[C@H](N(C(C1C2=CC3=C(C=C2)OCO3)CS)O)C(=O)NCC(=O)O

1 reference

(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine (English)

InChI=1S/C15H18N2O6S/c18-14(19)5-16-15(20)10-4-9(11(6-24)17(10)21)8-1-2-12-13(3-8)23-7-22-12/h1-3,9-11,21,24H,4-7H2,(H,16,20)(H,18,19)/t9?,10-,11?/m0/s1

5 October 2016

Identifiers

InChI

1 reference

(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine (English)

IFPDMYFQTNXKKD-YVNMAJEFSA-N

5 October 2016

InChIKey

2 references

(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4-(1,3-Benzodioxol-5-yl)-1-hydroxy-5-(sulfanylmethyl)-L-prolylglycine (English)

5 October 2016

2 references

(S)-N-[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine (English)

matched by identifier from

5 October 2016

InChIKey

IFPDMYFQTNXKKD-YVNMAJEFSA-N

ChEBI ID

28389

mapping relation type

2 references

[3-(3,4-methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]glycine (English)