(Q27185497)

MLS000562099 (English)

10 October 2016

chemical formula

C₃₆H₃₃ClN₄O₅

1 reference

MLS000562099 (English)

10 October 2016

canonical SMILES

C1C(N(CC12CC(=NO2)C3=CC(=CC=C3)NC(=O)COC4=CC=C(C=C4)Cl)C(=O)CC(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N

1 reference

MLS000562099 (English)

10 October 2016

isomeric SMILES

C1[C@@H](N(CC12CC(=NO2)C3=CC(=CC=C3)NC(=O)COC4=CC=C(C=C4)Cl)C(=O)CC(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)N

1 reference

MLS000562099 (English)

InChI=1S/C36H33ClN4O5/c37-27-14-16-29(17-15-27)45-22-33(42)39-28-13-7-12-26(18-28)31-20-36(46-40-31)21-32(35(38)44)41(23-36)34(43)19-30(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-18,30,32H,19-23H2,(H2,38,44)(H,39,42)/t32-,36?/m1/s1

10 October 2016

Identifiers

InChI

1 reference

MLS000562099 (English)

BGXZPXNTQICWOW-NQUIPPIDSA-N

10 October 2016

InChIKey

2 references

MLS000562099 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(8R)-3-(3-{[(4-Chlorophenoxy)acetyl]amino}phenyl)-7-(3,3-diphenylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide (English)

10 October 2016

1 reference

(8R)-3-(3-{[(4-Chlorophenoxy)acetyl]amino}phenyl)-7-(3,3-diphenylpropanoyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide (English)

10 October 2016

2 references

MLS000562099 (English)

matched by identifier from

10 October 2016

InChIKey

BGXZPXNTQICWOW-NQUIPPIDSA-N

ChEBI ID

107275

mapping relation type

2 references

(8R)-3-[3-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]phenyl]-7-(1-oxo-3,3-diphenylpropyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide (English)

matched by identifier from

10 October 2016

International Chemical Identifier

InChI

InChI=1S/C36H33ClN4O5/c37-27-14-16-29(17-15-27)45-22-33(42)39-28-13-7-12-26(18-28)31-20-36(46-40-31)21-32(35(38)44)41(23-36)34(43)19-30(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1-18,30,32H,19-23H2,(H2,38,44)(H,39,42)/t32-,36?/m1/s1

1 reference