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)

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)

Structure Search

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

Molecular Formula	C38H39Cl3N4O11S
Molecular Weight	866.16
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 20:17:11 GMT 2025` Edited by `admin` on `Wed Apr 02 20:17:11 GMT 2025`
Record UNII	EW92MUU5KK
Record Status	`Validated (UNII)`
Record Version

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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

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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

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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

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