MULUNDOCANDIN

Details

Stereochemistry	UNKNOWN
Molecular Formula	C48H77N7O16
Molecular Weight	1008.1623
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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](CO)NC(=O)[C@@]([H])(NC2=O)[C@H](O)C(O)C4=CC=C(O)C=C4)NC(=O)CCCCCCCCCCC(C)CC)[C@@H](C)O

InChI

InChIKey=WUPSJTQKGFMDON-FUMJLYDLSA-N

InChI=1S/C48H77N7O16/c1-5-25(2)14-12-10-8-6-7-9-11-13-15-35(61)49-31-21-34(60)44(67)53-46(69)38-39(62)26(3)22-55(38)47(70)32(24-56)50-45(68)37(41(64)40(63)28-16-18-29(58)19-17-28)52-43(66)33-20-30(59)23-54(33)48(71)36(27(4)57)51-42(31)65/h16-19,25-27,30-34,36-41,44,56-60,62-64,67H,5-15,20-24H2,1-4H3,(H,49,61)(H,50,68)(H,51,65)(H,52,66)(H,53,69)/t25?,26-,27+,30+,31-,32-,33-,34+,36-,37-,38-,39-,40?,41-,44+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C48H77N7O16
Molecular Weight	1008.1623
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	13 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:34:53 GMT 2023` Edited by `admin` on `Sat Dec 16 11:34:53 GMT 2023`
Record UNII	LGZ0KKQ79A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MULUNDOCANDIN

Common Name

English

L-PROLINE, (4R,5R)-4,5-DIHYDROXY-N2-(12-METHYL-1-OXOTETRADECYL)-L-ORNITHYL-L-THREONYL-TRANS-4-HYDROXY-L-PROLYL-(S)-4-HYDROXY-4-(4-HYDROXYPHENYL)-L-THREONYL-L-SERYL-3-HYDROXY-4-METHYL-, CYCLIC (6->1)-PEPTIDE, (2.ALPHA.,3.BETA.,4.BETA.)-

Systematic Name

English

ECHINOCANDIN B, 1-(4,5-DIHYDROXY-N2-(12-METHYL-1-OXOTETRADECYL)ORNITHINE)-5-SERINE-

Common Name

English

Code System Code Type Description

FDA UNII

LGZ0KKQ79A

Created by admin on Sat Dec 16 11:34:53 GMT 2023 , Edited by admin on Sat Dec 16 11:34:53 GMT 2023

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PUBCHEM

121225706

Created by admin on Sat Dec 16 11:34:53 GMT 2023 , Edited by admin on Sat Dec 16 11:34:53 GMT 2023

PRIMARY

CAS

108351-20-8

Created by admin on Sat Dec 16 11:34:53 GMT 2023 , Edited by admin on Sat Dec 16 11:34:53 GMT 2023

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