O-DESULFO METHYL MICAFUNGIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C57H73N9O20
Molecular Weight	1204.2378
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of O-DESULFO METHYL 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(OC)=C(O)C=C4)[C@H](O)CC(N)=O)NC(=O)C5=CC=C(C=C5)C6=NOC(=C6)C7=CC=C(OCCCCC)C=C7)[C@@H](C)O

InChI

InChIKey=BMCPQVYCPCNREG-ABDRUQNOSA-N

InChI=1S/C57H73N9O20/c1-5-6-7-18-85-33-15-12-29(13-16-33)40-22-34(64-86-40)28-8-10-30(11-9-28)50(76)59-35-21-39(71)53(79)63-55(81)46-47(73)26(2)24-66(46)57(83)44(38(70)23-42(58)72)61-54(80)45(49(75)48(74)31-14-17-37(69)41(19-31)84-4)62-52(78)36-20-32(68)25-65(36)56(82)43(27(3)67)60-51(35)77/h8-17,19,22,26-27,32,35-36,38-39,43-49,53,67-71,73-75,79H,5-7,18,20-21,23-25H2,1-4H3,(H2,58,72)(H,59,76)(H,60,77)(H,61,80)(H,62,78)(H,63,81)/t26-,27+,32+,35-,36-,38+,39+,43-,44-,45-,46-,47-,48-,49-,53+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C57H73N9O20
Molecular Weight	1204.2378
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 `Sat Dec 16 01:38:25 GMT 2023` Edited by `admin` on `Sat Dec 16 01:38:25 GMT 2023`
Record UNII	EVG3RH3PD5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-DESULFO METHYL MICAFUNGIN

Common Name

English

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

Common Name

English

MICAFUNGIN (M2)

Common Name

English

Code System Code Type Description

PUBCHEM

90752394

Created by admin on Sat Dec 16 01:38:25 GMT 2023 , Edited by admin on Sat Dec 16 01:38:25 GMT 2023

PRIMARY

FDA UNII

EVG3RH3PD5

Created by admin on Sat Dec 16 01:38:25 GMT 2023 , Edited by admin on Sat Dec 16 01:38:25 GMT 2023

PRIMARY

CAS

539823-81-9

Created by admin on Sat Dec 16 01:38:25 GMT 2023 , Edited by admin on Sat Dec 16 01:38:25 GMT 2023

PRIMARY

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