FR-179642

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 Search

SMILES

C[C@@H](O)[C@@H]1NC(=O)[C@@H](N)C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@@H](O)CN3C1=O)[C@H](O)[C@@H](O)C4=CC=C(O)C(OS(O)(=O)=O)=C4)[C@H](O)CC(N)=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

Molecular Formula	C35H52N8O20S
Molecular Weight	936.894
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 21:15:22 GMT 2025` Edited by `admin` on `Tue Apr 01 21:15:22 GMT 2025`
Record UNII	44677O2TDO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FR-179642

Code

English

FR-133303

Preferred Name

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

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 Tue Apr 01 21:15:22 GMT 2025 , Edited by admin on Tue Apr 01 21:15:22 GMT 2025

PRIMARY

PUBCHEM

71714631

Created by admin on Tue Apr 01 21:15:22 GMT 2025 , Edited by admin on Tue Apr 01 21:15:22 GMT 2025

PRIMARY

CAS

168110-44-9

Created by admin on Tue Apr 01 21:15:22 GMT 2025 , Edited by admin on Tue Apr 01 21:15:22 GMT 2025

PRIMARY