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Details

Stereochemistry ABSOLUTE
Molecular Formula C140H217N29O54S2.2Na
Molecular Weight 3280.5001
Optical Activity UNSPECIFIED
Defined Stereocenters 28 / 28
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FcIII-GN3 sodium

SMILES

[Na+].[Na+].CC(C)C[C@@H]1NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CC3=CNC4=CC=CC=C34)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC5=CNC6=CC=CC=C56)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC([O-])=O)NC(=O)CNC1=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@H](CC([O-])=O)NC(=O)CCCC7=CN(CCOCCOCCOCC(=O)NCC(=O)NC(COCCC(=O)NCCOCCOCCO[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8NC(C)=O)(COCCC(=O)NCCOCCOCCO[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9NC(C)=O)COCCC(=O)NCCOCCOCCO[C@@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10NC(C)=O)N=N7

InChI

InChIKey=SDTXCJDYYQJYNU-INCFRVPCSA-L
InChI=1S/C140H219N29O54S2.2Na/c1-77(2)55-94-127(196)149-64-109(181)155-93(23-24-112(184)185)128(197)159-95(56-78(3)4)133(202)164-114(79(5)6)136(205)161-97(58-86-62-147-92-21-15-13-19-90(86)92)130(199)163-101(135(204)165-115(81(8)173)125(141)194)72-225-224-71-100(134(203)151-80(7)126(195)157-96(57-85-61-146-91-20-14-12-18-89(85)91)129(198)160-98(131(200)158-94)59-88-63-142-76-150-88)162-132(201)99(60-113(186)187)156-108(180)22-16-17-87-66-169(168-167-87)31-38-209-42-46-210-47-48-214-70-111(183)148-65-110(182)166-140(73-215-32-25-105(177)143-28-35-206-39-43-211-49-52-218-137-116(152-82(9)174)122(191)119(188)102(67-170)221-137,74-216-33-26-106(178)144-29-36-207-40-44-212-50-53-219-138-117(153-83(10)175)123(192)120(189)103(68-171)222-138)75-217-34-27-107(179)145-30-37-208-41-45-213-51-54-220-139-118(154-84(11)176)124(193)121(190)104(69-172)223-139;;/h12-15,18-21,61-63,66,76-81,93-104,114-124,137-139,146-147,170-173,188-193H,16-17,22-60,64-65,67-75H2,1-11H3,(H2,141,194)(H,142,150)(H,143,177)(H,144,178)(H,145,179)(H,148,183)(H,149,196)(H,151,203)(H,152,174)(H,153,175)(H,154,176)(H,155,181)(H,156,180)(H,157,195)(H,158,200)(H,159,197)(H,160,198)(H,161,205)(H,162,201)(H,163,199)(H,164,202)(H,165,204)(H,166,182)(H,184,185)(H,186,187);;/q;2*+1/p-2/t80-,81+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102+,103+,104+,114-,115-,116+,117+,118+,119-,120-,121-,122+,123+,124+,137+,138+,139+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula C140H217N29O54S2
Molecular Weight 3234.5206
Charge -2
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 28 / 28
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:41:55 GMT 2025
Edited
by admin
on Wed Apr 02 19:41:55 GMT 2025
Record UNII
XL4T7NK766
Record Status FAILED
Record Version
  • Download
Name Type Language
FcIII-GN3 sodium
Common Name English
L-Threoninamide, N-[4-[1-[30-[[2-(acetylamino)-2-deoxy-?-D-galactopyranosyl]oxy]-16,16-bis[14-[[2-(acetylamino)-2-deoxy-?-D-galactopyranosyl]oxy]-5-oxo-2,9,12-trioxa-6-azatetradec-1-yl]-11,14,21-trioxo-3,6,9,18,25,28-hexaoxa-12,15,22-triazatriacont-1-yl]
Preferred Name English
Code System Code Type Description
FDA UNII
XL4T7NK766
Created by admin on Wed Apr 02 19:41:55 GMT 2025 , Edited by admin on Wed Apr 02 19:41:55 GMT 2025
PRIMARY
PUBCHEM
171390184
Created by admin on Wed Apr 02 19:41:55 GMT 2025 , Edited by admin on Wed Apr 02 19:41:55 GMT 2025
PRIMARY
CAS
3006034-00-7
Created by admin on Wed Apr 02 19:41:55 GMT 2025 , Edited by admin on Wed Apr 02 19:41:55 GMT 2025
PRIMARY
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