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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H39Cl3N4O11S
Molecular Weight 866.16
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Prop-2-enyl (1R,2R,3R,11S,12R,14R,26R)-12-cyano-22-hydroxy-6-methoxy-7,21-dimethyl-27-oxo-5-prop-2-enoxy-26-(2,2,2-trichloroethoxycarbonylamino)-17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23)

SMILES

COC1=C(C)C=C2C[C@H]3[C@H](C#N)N4[C@H]5COC(=O)[C@H](CS[C@@H]([C@H]4[C@H](N3C(=O)OCC=C)C2=C1OCC=C)C6=C(O)C(C)=C7OCOC7=C56)NC(=O)OCC(Cl)(Cl)Cl

InChI

InChIKey=YIWRCXSITNIDNM-BPUKYHHHSA-N
InChI=1S/C38H39Cl3N4O11S/c1-6-8-51-32-24-19(10-17(3)30(32)50-5)11-21-22(12-42)44-23-13-53-35(47)20(43-36(48)54-15-38(39,40)41)14-57-34(28(44)27(24)45(21)37(49)52-9-7-2)26-25(23)33-31(55-16-56-33)18(4)29(26)46/h6-7,10,20-23,27-28,34,46H,1-2,8-9,11,13-16H2,3-5H3,(H,43,48)/t20-,21-,22-,23-,27+,28+,34+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Prop-2-enyl (1R,2R,3R,11S,12R,14R,26R)-12-cyano-22-hydroxy-6-methoxy-7,21-dimethyl-27-oxo-5-prop-2-enoxy-26-(2,2,2-trichloroethoxycarbonylamino)-17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15(23)
Preferred Name English
Code System Code Type Description
PUBCHEM
11564162
Created by admin on Wed Apr 02 20:17:11 GMT 2025 , Edited by admin on Wed Apr 02 20:17:11 GMT 2025
PRIMARY
FDA UNII
EW92MUU5KK
Created by admin on Wed Apr 02 20:17:11 GMT 2025 , Edited by admin on Wed Apr 02 20:17:11 GMT 2025
PRIMARY
CAS
1054622-74-0
Created by admin on Wed Apr 02 20:17:11 GMT 2025 , Edited by admin on Wed Apr 02 20:17:11 GMT 2025
PRIMARY