DESPENTYL-(.OMEGA.-1)-HYDROXYPENTYL MICAFUNGIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C56H71N9O24S
Molecular Weight	1286.274
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DESPENTYL-(.OMEGA.-1)-HYDROXYPENTYL MICAFUNGIN

Structure Search

SMILES

[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](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)NC(=O)C5=CC=C(C=C5)C6=NOC(=C6)C7=CC=C(OCCC[C@H](C)O)C=C7)[C@@H](C)O

InChI

InChIKey=SZFYSRVQURFPCA-CGQUMIRLSA-N

InChI=1S/C56H71N9O24S/c1-24-22-65-45(46(24)73)54(81)62-52(79)38(71)19-34(58-49(76)29-8-6-27(7-9-29)33-20-39(88-63-33)28-10-13-32(14-11-28)87-16-4-5-25(2)66)50(77)59-42(26(3)67)55(82)64-23-31(68)18-35(64)51(78)61-44(53(80)60-43(56(65)83)37(70)21-41(57)72)48(75)47(74)30-12-15-36(69)40(17-30)89-90(84,85)86/h6-15,17,20,24-26,31,34-35,37-38,42-48,52,66-71,73-75,79H,4-5,16,18-19,21-23H2,1-3H3,(H2,57,72)(H,58,76)(H,59,77)(H,60,80)(H,61,78)(H,62,81)(H,84,85,86)/t24-,25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C56H71N9O24S
Molecular Weight	1286.274
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	16 / 16
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:38:27 GMT 2023` Edited by `admin` on `Sat Dec 16 01:38:27 GMT 2023`
Record UNII	VP4WA4H3TB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DESPENTYL-(.OMEGA.-1)-HYDROXYPENTYL MICAFUNGIN

Common Name

English

PNEUMOCANDIN A0, 1-((4R,5R)-4,5-DIHYDROXY-N2-(4-(5-(4-(((4S)-4-HYDROXYPENTYL)OXY)PHENYL)-3-ISOXAZOLYL)BENZOYL)-L-ORNITHINE)-4-((4S)-4-HYDROXY-4-(4-HYDROXY-3-(SULFOOXY)PHENYL)-L-THREONINE)-

Common Name

English

Code System Code Type Description

CAS

539826-01-2

Created by admin on Sat Dec 16 01:38:27 GMT 2023 , Edited by admin on Sat Dec 16 01:38:27 GMT 2023

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PUBCHEM

156028124

Created by admin on Sat Dec 16 01:38:27 GMT 2023 , Edited by admin on Sat Dec 16 01:38:27 GMT 2023

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FDA UNII

VP4WA4H3TB

Created by admin on Sat Dec 16 01:38:27 GMT 2023 , Edited by admin on Sat Dec 16 01:38:27 GMT 2023

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Related Record Type Details


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MICAFUNGIN

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