(Q5011453)

English

CI-988

chemical compound

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

809.4211077079999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₅₉N₅O₁₁

1 reference

stated in

PubChem

canonical SMILES

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC(C3=CC=CC=C3)NC(=O)CCC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6.CNCC(C(C(C(CO)O)O)O)O

1 reference

stated in

PubChem

isomeric SMILES

CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C[C@](Cc1c[nH]c2ccccc12)(N=C(O)OC1C2CC3CC(C2)CC1C3)C(O)=NC[C@H](N=C(O)CCC(=O)O)c1ccccc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C35H42N4O6.C7H17NO5/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42);4-13H,2-3H2,1H3/t21?,22?,24?,25?,29-,32?,35+;4-,5+,6+,7+/m00/s1

1 reference

stated in

PubChem

InChIKey

DEZUAGYSLSZLFO-DRGCLBCYSA-N

1 reference

1 reference

imported from Wikimedia project

English Wikipedia

PubChem CID

108186

1 reference

imported from Wikimedia project

English Wikipedia

ChEMBL ID

CHEMBL287735

1 reference

imported from Wikimedia project

1 reference

0 references

Microsoft Academic ID

2778960514

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Sitelinks

Wikipedia(4 entries)

enwiki CI-988
shwiki CI-988
srwiki CI-988
viwiki CI-988

(Q5011453)

CI-988

Statements

Identifiers

Sitelinks

Wikipedia(4 entries)

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