5-[(E)-[(2S)-2-(6-azanylhexanoylamino)-2,3-dihydroinden-1-ylidene]methyl]-1,3-benzodioxole-4-carboxylic acid (Q27467701)

5-[(E)-[(2s)-2-(6-Azanylhexanoylamino)-2,3-Dihydroinden-1-Ylidene]methyl]-1,3-Benzodioxole-4-Carboxylic Acid (English)

19 October 2016

chemical formula

C₂₄H₂₆N₂O₅

1 reference

5-[(E)-[(2s)-2-(6-Azanylhexanoylamino)-2,3-Dihydroinden-1-Ylidene]methyl]-1,3-Benzodioxole-4-Carboxylic Acid (English)

19 October 2016

canonical SMILES

C1C(C(=CC2=C(C3=C(C=C2)OCO3)C(=O)O)C4=CC=CC=C41)NC(=O)CCCCCN

1 reference

5-[(E)-[(2s)-2-(6-Azanylhexanoylamino)-2,3-Dihydroinden-1-Ylidene]methyl]-1,3-Benzodioxole-4-Carboxylic Acid (English)

19 October 2016

isomeric SMILES

C1[C@@H](/C(=C/C2=C(C3=C(C=C2)OCO3)C(=O)O)/C4=CC=CC=C41)NC(=O)CCCCCN

1 reference

5-[(E)-[(2s)-2-(6-Azanylhexanoylamino)-2,3-Dihydroinden-1-Ylidene]methyl]-1,3-Benzodioxole-4-Carboxylic Acid (English)

InChI=1S/C24H26N2O5/c25-11-5-1-2-8-21(27)26-19-13-15-6-3-4-7-17(15)18(19)12-16-9-10-20-23(31-14-30-20)22(16)24(28)29/h3-4,6-7,9-10,12,19H,1-2,5,8,11,13-14,25H2,(H,26,27)(H,28,29)/b18-12+/t19-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

5-[(E)-[(2s)-2-(6-Azanylhexanoylamino)-2,3-Dihydroinden-1-Ylidene]methyl]-1,3-Benzodioxole-4-Carboxylic Acid (English)

FRMVVXQYUFKPPV-GQEMFKIVSA-N

19 October 2016

InChIKey

1 reference

5-[(E)-[(2s)-2-(6-Azanylhexanoylamino)-2,3-Dihydroinden-1-Ylidene]methyl]-1,3-Benzodioxole-4-Carboxylic Acid (English)

19 October 2016

1 reference

5-[(E)-{(2S)-2-[(6-Aminohexanoyl)amino]-2,3-dihydro-1H-inden-1-ylidene}methyl]-1,3-benzodioxole-4-carboxylic acid (English)

19 October 2016

2 references

5-[(E)-[(2s)-2-(6-Azanylhexanoylamino)-2,3-Dihydroinden-1-Ylidene]methyl]-1,3-Benzodioxole-4-Carboxylic Acid (English)

matched by identifier from

19 October 2016

InChIKey

FRMVVXQYUFKPPV-GQEMFKIVSA-N

1 reference

0 references

1 reference

4CIE (English)