N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-beta-alanine (Q27139682)

3-{[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]amino}propanoic acid (English)

7 October 2016

chemical formula

C₁₉H₂₂N₂O₄

1 reference

3-{[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]amino}propanoic acid (English)

7 October 2016

canonical SMILES

C1C=CCC2C1CN(C2)C(=O)C3=CC=C(C=C3)C(=O)NCCC(=O)O

1 reference

3-{[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]amino}propanoic acid (English)

InChI=1S/C19H22N2O4/c22-17(23)9-10-20-18(24)13-5-7-14(8-6-13)19(25)21-11-15-3-1-2-4-16(15)12-21/h1-2,5-8,15-16H,3-4,9-12H2,(H,20,24)(H,22,23)

7 October 2016

Identifiers

InChI

1 reference

3-{[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]amino}propanoic acid (English)

ZNHOXFODVISWMP-UHFFFAOYSA-N

7 October 2016

InChIKey

2 references

3-{[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]amino}propanoic acid (English)

7 October 2016

stated in

ChEBI release 2020-09-01

1 reference

N-[4-(1,3,3a,4,7,7a-Hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-beta-alanine (English)

7 October 2016

2 references

3-{[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]amino}propanoic acid (English)

matched by identifier from

7 October 2016

InChIKey

ZNHOXFODVISWMP-UHFFFAOYSA-N

ChEBI ID

71526

mapping relation type

2 references

N-[4-(1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-ylcarbonyl)benzoyl]-beta-alanine (English)