(2S)-2-(2-carboxyethyl)-6-{[{2-[(cyclohexylmethyl)carbamoyl]benzyl}(prop-2-en-1-yl)amino]methyl}-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid (Q27464027)

(2s)-2-(2-Carboxyethyl)-6-{[{2-[(Cyclohexylmethyl)carbamoyl]benzyl}(Prop-2-En-1-Yl)amino]methyl}-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid (English)

19 October 2016

chemical formula

C₃₁H₃₈N₂O₇

1 reference

(2s)-2-(2-Carboxyethyl)-6-{[{2-[(Cyclohexylmethyl)carbamoyl]benzyl}(Prop-2-En-1-Yl)amino]methyl}-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid (English)

19 October 2016

canonical SMILES

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

1 reference

(2s)-2-(2-Carboxyethyl)-6-{[{2-[(Cyclohexylmethyl)carbamoyl]benzyl}(Prop-2-En-1-Yl)amino]methyl}-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid (English)

19 October 2016

isomeric SMILES

C=CCN(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)-2-(2-Carboxyethyl)-6-{[{2-[(Cyclohexylmethyl)carbamoyl]benzyl}(Prop-2-En-1-Yl)amino]methyl}-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid (English)

InChI=1S/C31H38N2O7/c1-2-16-33(18-22-10-6-7-11-25(22)30(36)32-17-21-8-4-3-5-9-21)19-23-12-14-26-29(28(23)31(37)38)39-20-24(40-26)13-15-27(34)35/h2,6-7,10-12,14,21,24H,1,3-5,8-9,13,15-20H2,(H,32,36)(H,34,35)(H,37,38)/t24-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

(2s)-2-(2-Carboxyethyl)-6-{[{2-[(Cyclohexylmethyl)carbamoyl]benzyl}(Prop-2-En-1-Yl)amino]methyl}-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid (English)

NZBPOEFEMNTREQ-DEOSSOPVSA-N

19 October 2016

InChIKey

1 reference

(2s)-2-(2-Carboxyethyl)-6-{[{2-[(Cyclohexylmethyl)carbamoyl]benzyl}(Prop-2-En-1-Yl)amino]methyl}-2,3-Dihydro-1,4-Benzodioxine-5-Carboxylic Acid (English)

19 October 2016

1 reference

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

19 October 2016

1 reference