3'-[(2S,4R)-6-carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydroquinolin-2-yl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]biphenyl-2-carboxylic acid (Q27452422)

CHEMBL3127491 (English)

19 October 2016

chemical formula

C₃₆H₃₇N₅O₄

1 reference

CHEMBL3127491 (English)

19 October 2016

canonical SMILES

CC(C)CC(=O)NC1=CC(=CC(=C1)C2CC(C3=C(N2)C=CC(=C3)C(=N)N)(C)C4=CC=CC=C4)C5=C(C=C(C=C5)C(=O)N)C(=O)O

1 reference

CHEMBL3127491 (English)

19 October 2016

isomeric SMILES

CC(C)CC(=O)NC1=CC(=CC(=C1)[C@@H]2C[C@](C3=C(N2)C=CC(=C3)C(=N)N)(C)C4=CC=CC=C4)C5=C(C=C(C=C5)C(=O)N)C(=O)O

1 reference

CHEMBL3127491 (English)

InChI=1S/C36H37N5O4/c1-20(2)13-32(42)40-26-15-23(27-11-9-22(34(39)43)17-28(27)35(44)45)14-24(16-26)31-19-36(3,25-7-5-4-6-8-25)29-18-21(33(37)38)10-12-30(29)41-31/h4-12,14-18,20,31,41H,13,19H2,1-3H3,(H3,37,38)(H2,39,43)(H,40,42)(H,44,45)/t31-,36+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL3127491 (English)

PDUMJXCNOKHQKH-SVXHESJVSA-N

19 October 2016

InChIKey

1 reference

CHEMBL3127491 (English)

19 October 2016

1 reference

3'-[(2S,4R)-6-Carbamimidoyl-4-methyl-4-phenyl-1,2,3,4-tetrahydro-2-quinolinyl]-4-carbamoyl-5'-[(3-methylbutanoyl)amino]-2-biphenylcarboxylic acid (English)

19 October 2016

1 reference