N-((1S,2R)-3-(((1S)-2-(cyclohexylamino)-1--methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-(ethylamino)-5-((methylsulfonyl)(phenyl)amino)benzamide (Q27457177)

CHEMBL1210359 (English)

19 October 2016

chemical formula

C₃₅H₄₇N₅O₅S

1 reference

CHEMBL1210359 (English)

19 October 2016

canonical SMILES

CCNC1=CC(=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNC(C)C(=O)NC3CCCCC3)O)N(C4=CC=CC=C4)S(=O)(=O)C

1 reference

CHEMBL1210359 (English)

19 October 2016

isomeric SMILES

CCNC1=CC(=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CN[C@@H](C)C(=O)NC3CCCCC3)O)N(C4=CC=CC=C4)S(=O)(=O)C

1 reference

CHEMBL1210359 (English)

InChI=1S/C35H47N5O5S/c1-4-36-29-21-27(22-31(23-29)40(46(3,44)45)30-18-12-7-13-19-30)35(43)39-32(20-26-14-8-5-9-15-26)33(41)24-37-25(2)34(42)38-28-16-10-6-11-17-28/h5,7-9,12-15,18-19,21-23,25,28,32-33,36-37,41H,4,6,10-11,16-17,20,24H2,1-3H3,(H,38,42)(H,39,43)/t25-,32-,33+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL1210359 (English)

SMMANAWVXZZNER-DZMJNENTSA-N

19 October 2016

InChIKey

1 reference

CHEMBL1210359 (English)

19 October 2016

1 reference

N-[(2S,3R)-4-{[(2S)-1-(Cyclohexylamino)-1-oxo-2-propanyl]amino}-3-hydroxy-1-phenyl-2-butanyl]-3-(ethylamino)-5-[(methylsulfonyl)(phenyl)amino]benzamide (English)

19 October 2016

1 reference