LSM-5035
(Q27166208)
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chemical compound
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Label
Description
Also known as
English
LSM-5035
chemical compound
Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
720.3159143679999
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₄₁H₄₄N₄O₈
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CC=1C(C)=C2C=C3C4=CC=C(C(C(=O)OC)(C4(C)C(=CC=5C(C)=C(CCC(=O)OC)C(=CC6=C(CCC(=O)O)C(C)=C(CC1N2)N6)N5)N3)[H])C(=O)OC
1 reference
stated in
ChEBI
ChEBI ID
94368
language of work or name
English
title
LSM-5035
(English)
retrieved
9 October 2016
isomeric SMILES
C=CC=1C(C)=C2C=C3C4=CC=C(C(C(=O)OC)([C@@]4(C)C(=CC=5C(C)=C(CCC(=O)OC)C(=CC6=C(CCC(=O)O)C(C)=C(CC1N2)N6)N5)N3)[H])C(=O)OC
1 reference
stated in
ChEBI
ChEBI ID
94368
language of work or name
English
title
LSM-5035
(English)
retrieved
9 October 2016
Identifiers
InChI
InChI=1S/C41H44N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h9-10,13,17-19,38,42-43,45H,1,11-12,14-16H2,2-8H3,(H,46,47)/t38?,41-/m1/s1
1 reference
stated in
ChEBI
ChEBI ID
94368
language of work or name
English
title
LSM-5035
(English)
retrieved
9 October 2016
InChIKey
CCHAFFIHHPEEAJ-MIJGTKDRSA-N
2 references
stated in
ChEBI
ChEBI ID
94368
language of work or name
English
title
LSM-5035
(English)
retrieved
9 October 2016
stated in
ChEBI release 2020-09-01
ChEBI ID
94368
mapping relation type
exact match
2 references
stated in
ChEBI
ChEBI ID
94368
language of work or name
English
title
LSM-5035
(English)
retrieved
9 October 2016
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C41H44N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h9-10,13,17-19,38,42-43,45H,1,11-12,14-16H2,2-8H3,(H,46,47)/t38?,41-/m1/s1
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