(1R,3S)-3-[1-(acetylamino)-1-methylethyl]-N-[(1S,2S,4R)-1-benzyl-5-(butylamino)-2-hydroxy-4-methyl-5-oxopentyl]cyclohexanecarboxamide (Q27458128)

CHEMBL1093388 (English)

19 October 2016

chemical formula

C₂₉H₄₇N₃O₄

1 reference

CHEMBL1093388 (English)

19 October 2016

canonical SMILES

CCCCNC(=O)C(C)CC(C(CC1=CC=CC=C1)NC(=O)C2CCCC(C2)C(C)(C)NC(=O)C)O

1 reference

CHEMBL1093388 (English)

19 October 2016

isomeric SMILES

CCCCNC(=O)[C@H](C)C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCC[C@@H](C2)C(C)(C)NC(=O)C)O

1 reference

CHEMBL1093388 (English)

InChI=1S/C29H47N3O4/c1-6-7-16-30-27(35)20(2)17-26(34)25(18-22-12-9-8-10-13-22)31-28(36)23-14-11-15-24(19-23)29(4,5)32-21(3)33/h8-10,12-13,20,23-26,34H,6-7,11,14-19H2,1-5H3,(H,30,35)(H,31,36)(H,32,33)/t20-,23-,24+,25+,26+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

CHEMBL1093388 (English)

NGUMIHCAWWHVPZ-MTKOPPBXSA-N

19 October 2016

InChIKey

1 reference

CHEMBL1093388 (English)

19 October 2016

1 reference

(1R,3S)-3-(2-Acetamido-2-propanyl)-N-[(2S,3S,5R)-6-(butylamino)-3-hydroxy-5-methyl-6-oxo-1-phenyl-2-hexanyl]cyclohexanecarboxamide (English)

19 October 2016

1 reference

CHEMBL1093388 (English)

19 October 2016

1 reference

CHEMBL1093388 (English)

19 October 2016

1 reference

0 references

1 reference

3K5F (English)