U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C35H52N8O20S
Molecular Weight 936.894
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FR-179642

SMILES

[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@@H](N)C[C@@H](O)[C@@H](O)NC(=O)[C@]3([H])[C@@H](O)[C@@H](C)CN3C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)C4=CC(OS(O)(=O)=O)=C(O)C=C4)[C@H](O)CC(N)=O)[C@@H](C)O

InChI

InChIKey=QCYMOOBOFFUBHZ-CPYYHODSSA-N
InChI=1S/C35H52N8O20S/c1-11-9-43-25(26(11)50)33(57)41-31(55)19(48)7-15(36)29(53)38-22(12(2)44)34(58)42-10-14(45)6-16(42)30(54)40-24(32(56)39-23(35(43)59)18(47)8-21(37)49)28(52)27(51)13-3-4-17(46)20(5-13)63-64(60,61)62/h3-5,11-12,14-16,18-19,22-28,31,44-48,50-52,55H,6-10,36H2,1-2H3,(H2,37,49)(H,38,53)(H,39,56)(H,40,54)(H,41,57)(H,60,61,62)/t11-,12+,14+,15-,16-,18+,19+,22-,23-,24-,25-,26-,27-,28-,31+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
FR-179642
Code English
MICAFUNGIN FR-179642 IMPURITY
Common Name English
PNEUMOCANDIN M1
Common Name English
PNEUMOCANDIN A0, 1-((4R,5R)-4,5-DIHYDROXY-L-ORNITHINE)-4-((4S)-4-HYDROXY-4-(4-HYDROXY-3-(SULFOOXY)PHENYL)-L-THREONINE)-
Common Name English
1-((4R,5R)-4,5-DIHYDROXY-L-ORNITHINE)-4-((4S)-4-HYDROXY-4-(4-HYDROXY-3-(SULFOOXY)PHENYL)-L-THREONINE)PNEUMOCANDIN A0
Common Name English
FR179642
Code English
FR-133303
Code English
PNEUMOCANDIN A0, 1-((4R,5R)-4,5-DIHYDROXY-L-ORNITHINE)-4-((S)-4-HYDROXY-4-(4-HYDROXY-3-(SULFOOXY)PHENYL)-L-THREONINE)-
Common Name English
Code System Code Type Description
FDA UNII
44677O2TDO
Created by admin on Sat Dec 16 13:45:08 GMT 2023 , Edited by admin on Sat Dec 16 13:45:08 GMT 2023
PRIMARY
PUBCHEM
71714631
Created by admin on Sat Dec 16 13:45:08 GMT 2023 , Edited by admin on Sat Dec 16 13:45:08 GMT 2023
PRIMARY
CAS
168110-44-9
Created by admin on Sat Dec 16 13:45:08 GMT 2023 , Edited by admin on Sat Dec 16 13:45:08 GMT 2023
PRIMARY