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Details

Stereochemistry ABSOLUTE
Molecular Formula C59H75N7O17
Molecular Weight 1154.2635
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-MethylAnidulafungin

SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@@H](O)[C@H](NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@@H](O)CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)[C@H](O)[C@@H](O)C7=CC=C(O)C=C7)[C@@H](C)O)OC

InChI

InChIKey=MTZYYAFSXXAZRZ-MNRNXXFESA-N
InChI=1S/C59H75N7O17/c1-6-7-8-25-83-41-23-19-36(20-24-41)34-11-9-33(10-12-34)35-13-15-38(16-14-35)52(75)60-42-27-44(71)57(82-5)64-56(79)48-49(72)30(2)28-66(48)59(81)46(32(4)68)62-55(78)47(51(74)50(73)37-17-21-39(69)22-18-37)63-54(77)43-26-40(70)29-65(43)58(80)45(31(3)67)61-53(42)76/h9-24,30-32,40,42-51,57,67-74H,6-8,25-29H2,1-5H3,(H,60,75)(H,61,76)(H,62,78)(H,63,77)(H,64,79)/t30-,31+,32+,40+,42-,43-,44+,45-,46-,47-,48-,49-,50-,51-,57+/m0/s1

HIDE SMILES / InChI

Molecular Formula C59H75N7O17
Molecular Weight 1154.2635
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 23:13:49 GMT 2025
Edited
by admin
on Tue Apr 01 23:13:49 GMT 2025
Record UNII
TEH34PMU33
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-MethylAnidulafungin
Common Name English
ANIDULAFUNGIN IMPURITY 8
Preferred Name English
CILOFUNGIN, 1-((4R,5R)-4-HYDROXY-5-METHOXY-N2-((4''-(PENTYLOXY)(1,1':4',1''-TERPHENYL)-4-YL)CARBONYL)-L-ORNITHINE)-
Common Name English
Code System Code Type Description
FDA UNII
TEH34PMU33
Created by admin on Tue Apr 01 23:13:49 GMT 2025 , Edited by admin on Tue Apr 01 23:13:49 GMT 2025
PRIMARY
CAS
185425-47-2
Created by admin on Tue Apr 01 23:13:49 GMT 2025 , Edited by admin on Tue Apr 01 23:13:49 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY