1-(1,3-benzodioxol-5-yl)-3-[(2S,3S)-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]urea (Q27216484)

CHEMBL3185347 (English)

11 October 2016

chemical formula

C₃₃H₃₈N₄O₈

1 reference

CHEMBL3185347 (English)

11 October 2016

canonical SMILES

CC1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)OC1CN(C)CC5=CC6=C(C=C5)OCO6)C(C)CO

1 reference

CHEMBL3185347 (English)

11 October 2016

isomeric SMILES

C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)O[C@@H]1CN(C)CC5=CC6=C(C=C5)OCO6)[C@H](C)CO

1 reference

CHEMBL3185347 (English)

InChI=1S/C33H38N4O8/c1-20-14-37(21(2)17-38)32(39)12-23-11-24(34-33(40)35-25-6-9-28-30(13-25)44-19-42-28)5-8-26(23)45-31(20)16-36(3)15-22-4-7-27-29(10-22)43-18-41-27/h4-11,13,20-21,31,38H,12,14-19H2,1-3H3,(H2,34,35,40)/t20-,21+,31+/m0/s1

11 October 2016

Identifiers

InChI

1 reference

CHEMBL3185347 (English)

QMJDGTKOTWCVIL-XYTRMVCOSA-N

11 October 2016

InChIKey

2 references

CHEMBL3185347 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-(1,3-Benzodioxol-5-yl)-3-{(2S,3S)-2-{[(1,3-benzodioxol-5-ylmethyl)(methyl)amino]methyl}-5-[(2R)-1-hydroxy-2-propanyl]-3-methyl-6-oxo-2,3,4,5,6,7-hexahydro-1,5-benzoxazonin-9-yl}urea (English)

11 October 2016

1 reference

CHEMBL3185347 (English)

11 October 2016

ChEBI ID

125857

mapping relation type

1 reference

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

11 October 2016

1 reference