LSM-6045 (Q27166597)

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chemical compound

Language	Label	Description	Also known as
English	LSM-6045	chemical compound

Statements

group of stereoisomers

0 references

chemical compound

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940.3499339919999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₄₈H₅₆N₆O₁₀S₂

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canonical SMILES

CC1(C)C(C(=O)O)(N2C(C(C2(S1)[H])(N=C(COC3=CC=CC=C3)O)[H])=O)[H].CC1(C)C(C(=O)O)(N2C(C(C2(S1)[H])(N=C(COC3=CC=CC=C3)O)[H])=O)[H].C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2

1 reference

language of work or name

LSM-6045 (English)

9 October 2016

isomeric SMILES

CC1(C)C(C(=O)O)(N2C([C@]([C@@]2(S1)[H])(N=C(COC3=CC=CC=C3)O)[H])=O)[H].CC1(C)C(C(=O)O)(N2C([C@]([C@@]2(S1)[H])(N=C(COC3=CC=CC=C3)O)[H])=O)[H].C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2

1 reference

language of work or name

LSM-6045 (English)

9 October 2016

Identifiers

InChI=1S/2C16H18N2O5S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12?,14+;/m11./s1

1 reference

language of work or name

LSM-6045 (English)

9 October 2016

BBTOYUUSUQNIIY-BMPBAHJNSA-N

2 references

language of work or name

LSM-6045 (English)

9 October 2016

ChEBI release 2020-09-01

1 reference

26 December 2021

mapping relation type

2 references

language of work or name

LSM-6045 (English)

9 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/2C16H18N2O5S.C16H20N2/c2*1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16/h2*3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);1-10,17-18H,11-14H2/t2*11-,12?,14+;/m11./s1

UniChem compound ID

1 reference

Sitelinks

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