(2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-D][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid (Q27452675)

(2e)-3-(4-{[(1-{[(13-Cyclohexyl-6-Oxo-6,7-Dihydro-5h-Indolo[1,2-D][1,4]benzodiazepin-10-Yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-Enoic Acid (English)

19 October 2016

chemical formula

C₃₈H₃₈N₄O₅

1 reference

(2e)-3-(4-{[(1-{[(13-Cyclohexyl-6-Oxo-6,7-Dihydro-5h-Indolo[1,2-D][1,4]benzodiazepin-10-Yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-Enoic Acid (English)

19 October 2016

canonical SMILES

C1CCC(CC1)C2=C3C4=CC=CC=C4NC(=O)CN3C5=C2C=CC(=C5)C(=O)NC6(CCCC6)C(=O)NC7=CC=C(C=C7)C=CC(=O)O

1 reference

(2e)-3-(4-{[(1-{[(13-Cyclohexyl-6-Oxo-6,7-Dihydro-5h-Indolo[1,2-D][1,4]benzodiazepin-10-Yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-Enoic Acid (English)

19 October 2016

isomeric SMILES

C1CCC(CC1)C2=C3C4=CC=CC=C4NC(=O)CN3C5=C2C=CC(=C5)C(=O)NC6(CCCC6)C(=O)NC7=CC=C(C=C7)/C=C/C(=O)O

1 reference

(2e)-3-(4-{[(1-{[(13-Cyclohexyl-6-Oxo-6,7-Dihydro-5h-Indolo[1,2-D][1,4]benzodiazepin-10-Yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-Enoic Acid (English)

InChI=1S/C38H38N4O5/c43-32-23-42-31-22-26(15-18-29(31)34(25-8-2-1-3-9-25)35(42)28-10-4-5-11-30(28)40-32)36(46)41-38(20-6-7-21-38)37(47)39-27-16-12-24(13-17-27)14-19-33(44)45/h4-5,10-19,22,25H,1-3,6-9,20-21,23H2,(H,39,47)(H,40,43)(H,41,46)(H,44,45)/b19-14+

19 October 2016

Identifiers

InChI

1 reference

(2e)-3-(4-{[(1-{[(13-Cyclohexyl-6-Oxo-6,7-Dihydro-5h-Indolo[1,2-D][1,4]benzodiazepin-10-Yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-Enoic Acid (English)

HDBNVTWMHMMKNY-XMHGGMMESA-N

19 October 2016

InChIKey

1 reference

(2e)-3-(4-{[(1-{[(13-Cyclohexyl-6-Oxo-6,7-Dihydro-5h-Indolo[1,2-D][1,4]benzodiazepin-10-Yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-Enoic Acid (English)

19 October 2016

1 reference

(2E)-3-(4-{[(1-{[(13-Cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)acrylic acid (English)

19 October 2016

1 reference