1-cyclohexyl-3-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea (Q27224301)

CHEMBL2357640 (English)

12 October 2016

chemical formula

C₃₇H₄₈N₄O₄

1 reference

CHEMBL2357640 (English)

12 October 2016

canonical SMILES

CC1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3CCCCC3)OC1CN(C)CC4=CC=C(C=C4)C5=CC=CC=C5)C(C)CO

1 reference

CHEMBL2357640 (English)

12 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3CCCCC3)O[C@@H]1CN(C)CC4=CC=C(C=C4)C5=CC=CC=C5)[C@@H](C)CO

1 reference

CHEMBL2357640 (English)

InChI=1S/C37H48N4O4/c1-26-22-41(27(2)25-42)36(43)21-31-20-33(39-37(44)38-32-12-8-5-9-13-32)18-19-34(31)45-35(26)24-40(3)23-28-14-16-30(17-15-28)29-10-6-4-7-11-29/h4,6-7,10-11,14-20,26-27,32,35,42H,5,8-9,12-13,21-25H2,1-3H3,(H2,38,39,44)/t26-,27-,35+/m0/s1

12 October 2016

Identifiers

InChI

1 reference

CHEMBL2357640 (English)

CMLTYIJXOZVOLL-PDTNBVABSA-N

12 October 2016

InChIKey

2 references

CHEMBL2357640 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-{(2S,3S)-2-{[(4-Biphenylylmethyl)(methyl)amino]methyl}-5-[(2S)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-9-yl}-3-cyclohexylurea (English)

12 October 2016

1 reference

CHEMBL2357640 (English)

12 October 2016

ChEBI ID

130561

mapping relation type

1 reference

1-cyclohexyl-3-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea (English)

12 October 2016

1 reference