(8R)-7-[(2-benzoylphenyl)-oxomethyl]-3-[3-[(1-oxo-3,3-diphenylpropyl)amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide (Q27195989)

MLS000562053 (English)

11 October 2016

chemical formula

C₄₂H₃₆N₄O₅

1 reference

MLS000562053 (English)

11 October 2016

canonical SMILES

C1C(N(CC12CC(=NO2)C3=CC(=CC=C3)NC(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C6=CC=CC=C6C(=O)C7=CC=CC=C7)C(=O)N

1 reference

MLS000562053 (English)

11 October 2016

isomeric SMILES

C1[C@@H](N(CC12CC(=NO2)C3=CC(=CC=C3)NC(=O)CC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C6=CC=CC=C6C(=O)C7=CC=CC=C7)C(=O)N

1 reference

MLS000562053 (English)

InChI=1S/C42H36N4O5/c43-40(49)37-26-42(27-46(37)41(50)34-22-11-10-21-33(34)39(48)30-17-8-3-9-18-30)25-36(45-51-42)31-19-12-20-32(23-31)44-38(47)24-35(28-13-4-1-5-14-28)29-15-6-2-7-16-29/h1-23,35,37H,24-27H2,(H2,43,49)(H,44,47)/t37-,42?/m1/s1

11 October 2016

Identifiers

InChI

1 reference

MLS000562053 (English)

CHVGRSKBLXRBHR-SZUYGLCUSA-N

11 October 2016

InChIKey

2 references

MLS000562053 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(8R)-7-(2-Benzoylbenzoyl)-3-{3-[(3,3-diphenylpropanoyl)amino]phenyl}-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide (English)

11 October 2016

1 reference

(8R)-7-(2-Benzoylbenzoyl)-3-{3-[(3,3-diphenylpropanoyl)amino]phenyl}-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide (English)

11 October 2016

1 reference

MLS000562053 (English)

11 October 2016

ChEBI ID

114586

mapping relation type

2 references

(8R)-7-[(2-benzoylphenyl)-oxomethyl]-3-[3-[(1-oxo-3,3-diphenylpropyl)amino]phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide (English)

matched by identifier from

11 October 2016

International Chemical Identifier

InChI

InChI=1S/C42H36N4O5/c43-40(49)37-26-42(27-46(37)41(50)34-22-11-10-21-33(34)39(48)30-17-8-3-9-18-30)25-36(45-51-42)31-19-12-20-32(23-31)44-38(47)24-35(28-13-4-1-5-14-28)29-15-6-2-7-16-29/h1-23,35,37H,24-27H2,(H2,43,49)(H,44,47)/t37-,42?/m1/s1

1 reference