(2S)-6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid (Q27464707)

(2s)-6-[[[2-(Cyclohexylmethylcarbamoyl)phenyl]methyl-Methyl-Amino]methyl]-2-(3-Hydroxy-3-Oxopropyl)-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid (English)

19 October 2016

chemical formula

C₂₉H₃₆N₂O₇

1 reference

(2s)-6-[[[2-(Cyclohexylmethylcarbamoyl)phenyl]methyl-Methyl-Amino]methyl]-2-(3-Hydroxy-3-Oxopropyl)-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid (English)

19 October 2016

canonical SMILES

CN(CC1=C(C2=C(C=C1)OC(CO2)CCC(=O)O)C(=O)O)CC3=CC=CC=C3C(=O)NCC4CCCCC4

1 reference

(2s)-6-[[[2-(Cyclohexylmethylcarbamoyl)phenyl]methyl-Methyl-Amino]methyl]-2-(3-Hydroxy-3-Oxopropyl)-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid (English)

19 October 2016

isomeric SMILES

CN(CC1=C(C2=C(C=C1)O[C@H](CO2)CCC(=O)O)C(=O)O)CC3=CC=CC=C3C(=O)NCC4CCCCC4

1 reference

(2s)-6-[[[2-(Cyclohexylmethylcarbamoyl)phenyl]methyl-Methyl-Amino]methyl]-2-(3-Hydroxy-3-Oxopropyl)-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid (English)

InChI=1S/C29H36N2O7/c1-31(16-20-9-5-6-10-23(20)28(34)30-15-19-7-3-2-4-8-19)17-21-11-13-24-27(26(21)29(35)36)37-18-22(38-24)12-14-25(32)33/h5-6,9-11,13,19,22H,2-4,7-8,12,14-18H2,1H3,(H,30,34)(H,32,33)(H,35,36)/t22-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

(2s)-6-[[[2-(Cyclohexylmethylcarbamoyl)phenyl]methyl-Methyl-Amino]methyl]-2-(3-Hydroxy-3-Oxopropyl)-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid (English)

ALUOBRJTVMRLRL-QFIPXVFZSA-N

19 October 2016

InChIKey

1 reference

(2s)-6-[[[2-(Cyclohexylmethylcarbamoyl)phenyl]methyl-Methyl-Amino]methyl]-2-(3-Hydroxy-3-Oxopropyl)-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid (English)

19 October 2016

1 reference

(2S)-2-(2-Carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(methyl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid (English)

19 October 2016

1 reference