AGI-134

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C70H126N3O26P
Molecular Weight	1456.7277
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]3(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@]([H])(O[C@@H]2[C@@H](CO)O[C@@H](OCCCNC(=O)CCCCC(=O)NCCOP(O)(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)[C@H](NC(C)=O)[C@H]2O)[C@@H]1O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O

InChI

InChIKey=ZJYQGJWRGLACDM-UNBAAJOISA-N

InChI=1S/C70H126N3O26P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39-57(80)91-48-51(94-58(81)40-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)49-93-100(88,89)92-44-42-72-56(79)38-35-34-37-55(78)71-41-36-43-90-68-59(73-50(3)77)62(84)66(54(47-76)97-68)98-70-65(87)67(61(83)53(46-75)96-70)99-69-64(86)63(85)60(82)52(45-74)95-69/h18-21,51-54,59-70,74-76,82-87H,4-17,22-49H2,1-3H3,(H,71,78)(H,72,79)(H,73,77)(H,88,89)/b20-18-,21-19-/t51-,52-,53-,54-,59-,60+,61+,62-,63+,64-,65-,66-,67+,68-,69-,70+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C70H125N3O26P
Molecular Weight	1455.7198
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	16 / 16
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:40:08 GMT 2023` Edited by `admin` on `Sat Dec 16 15:40:08 GMT 2023`
Record UNII	OE0L4ZX3I8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AGI-134

Code

English

(2R)-1-((2-(5-((3-(((2R,3R,4R,5S,6R)-5-(((2S,3R,4S,5S,6R)-3,5-DIHYDROXY-6-(HYDROXYMETHYL)-4-(((2R,3R,4S,5R,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)OXY)OXAN-2-YL)OXY)-3-ACETAMIDO-4-HYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL)OXY)PROPYL)CARBAMOYL) PENTANAMI

Systematic Name

English

AGI134

Code

English

AGI 134 [WHO-DD]

Common Name

English

9-OCTADECENOIC ACID, (1R)-1-(17-((O-.ALPHA.-D-GALACTOPYRANOSYL-(1->3)-O-.BETA.-D-GALACTOPYRANOSYL-(1->4)-2-(ACETYLAMINO)-2-DEOXY-.BETA.-D-GLUCOPYRANOSYL)OXY)-3-HYDROXY-3-OXIDO-8,13-DIOXO-2,4-DIOXA-7,14-DIAZA-3-PHOSPHAHEPTADEC-1-YL)-1,2-ETHANEDIYL ESTER,

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C165548