DEOXYMULUNDOCANDIN

Details

Stereochemistry	UNKNOWN
Molecular Formula	C48H77N7O15
Molecular Weight	992.1629
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 14
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)CC4=CC=C(O)C=C4)NC(=O)CCCCCCCCCCC(C)CC)[C@@H](C)O

InChI

InChIKey=GWBOEEVOSDBARW-SPXLVGSKSA-N

InChI=1S/C48H77N7O15/c1-5-26(2)14-12-10-8-6-7-9-11-13-15-37(62)49-32-22-36(61)44(66)53-46(68)40-41(63)27(3)23-55(40)47(69)33(25-56)50-45(67)39(35(60)20-29-16-18-30(58)19-17-29)52-43(65)34-21-31(59)24-54(34)48(70)38(28(4)57)51-42(32)64/h16-19,26-28,31-36,38-41,44,56-61,63,66H,5-15,20-25H2,1-4H3,(H,49,62)(H,50,67)(H,51,64)(H,52,65)(H,53,68)/t26?,27-,28+,31+,32-,33-,34-,35+,36+,38-,39-,40-,41-,44+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C48H77N7O15
Molecular Weight	992.1629
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	13 / 14
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	08CFZ3P61X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEOXYMULUNDOCANDIN

Common Name

English

L-PROLINE, (4R,5R)-4,5-DIHYDROXY-N2-(12-METHYL-1-OXOTETRADECYL)-L-ORNITHYL-L-THREONYL-(4R)-4-HYDROXY-L-PROLYL-4-(4-HYDROXYPHENYL)-L-THREONYL-L-SERYL-3-HYDROXY-4-METHYL-, (6->1)-LACTAM, (3S,4S)-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

9876445

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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FDA UNII

08CFZ3P61X

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

138626-63-8

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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