3-({(2S)-2-[({(1S)-1-[({(1S)-1-[(R)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carbonyl]-2,3-dihydro-1H-indol-2-yl}methyl)thiophene-2-carboxylic acid (Q27459569)

PEPTIDOMIMETIC INHIBITOR (English)

3-({(2S)-2-[({(1R)-1-[({(1R)-1-[(R)-carboxy(hydroxy)methyl]-3,3-difluoropropyl}amino)carbonyl]-3-methylbutyl}amino)carbonyl]-2,3-dihydro-1H-indol-2-yl}methyl)thiophene-2-carboxylic acid

19 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₁F₂N₃O₇S

1 reference

PEPTIDOMIMETIC INHIBITOR (English)

19 October 2016

canonical SMILES

CC(C)CC(C(=O)NC(CC(F)F)C(C(=O)O)O)NC(=O)C1(CC2=CC=CC=C2N1)CC3=C(SC=C3)C(=O)O

1 reference

PEPTIDOMIMETIC INHIBITOR (English)

19 October 2016

isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(F)F)[C@H](C(=O)O)O)NC(=O)[C@]1(CC2=CC=CC=C2N1)CC3=C(SC=C3)C(=O)O

1 reference

PEPTIDOMIMETIC INHIBITOR (English)

InChI=1S/C26H31F2N3O7S/c1-13(2)9-18(22(33)29-17(10-19(27)28)20(32)23(34)35)30-25(38)26(11-14-5-3-4-6-16(14)31-26)12-15-7-8-39-21(15)24(36)37/h3-8,13,17-20,31-32H,9-12H2,1-2H3,(H,29,33)(H,30,38)(H,34,35)(H,36,37)/t17-,18-,20+,26-/m0/s1

19 October 2016

Identifiers

InChI

1 reference

PEPTIDOMIMETIC INHIBITOR (English)

BEFPIHVRQQQFFB-QUPVEMFASA-N

19 October 2016

InChIKey

1 reference

PEPTIDOMIMETIC INHIBITOR (English)

19 October 2016

1 reference

3-{[(2S)-2-{[(2S)-1-{[(1R,2S)-1-Carboxy-4,4-difluoro-1-hydroxy-2-butanyl]amino}-4-methyl-1-oxo-2-pentanyl]carbamoyl}-2,3-dihydro-1H-indol-2-yl]methyl}-2-thiophenecarboxylic acid (English)

19 October 2016

2 references