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Details

Stereochemistry ABSOLUTE
Molecular Formula C115H145N17O25S
Molecular Weight 2197.546
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of Alizulatide Vixocianine

SMILES

CC(C)C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3CCCCC3)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CCCCC[N+]4=C(C=CC=CC=CC=C5N(CCCCS([O-])(=O)=O)C6=CC=C7C=CC=CC7=C6C5(C)C)C(C)(C)C8=C9C=CC=CC9=CC=C48)C(=O)N[C@@H](CC%10=CNC%11=C%10C=CC=C%11)C(=O)N[C@@H](CO)C(O)=O

InChI

InChIKey=OCRKMIFLYRVZMV-LYZVSXSJSA-N
InChI=1S/C115H145N17O25S/c1-69(2)60-84(105(146)127-88(109(150)130-91(68-134)112(153)154)64-75-66-119-80-39-25-24-36-77(75)80)123-106(147)87(63-72-44-48-76(135)49-45-72)124-102(143)81(40-29-56-118-113(116)117)121-111(152)90(67-133)129-108(149)86(62-71-32-15-11-16-33-71)125-107(148)85(61-70-30-13-10-14-31-70)126-110(151)89(65-99(141)142)128-104(145)83(51-55-98(139)140)122-103(144)82(50-54-97(137)138)120-96(136)43-19-12-26-57-131-92-52-46-73-34-20-22-37-78(73)100(92)114(3,4)94(131)41-17-8-7-9-18-42-95-115(5,6)101-79-38-23-21-35-74(79)47-53-93(101)132(95)58-27-28-59-158(155,156)157/h7-9,11,15-18,20-25,32-39,41-42,44-49,52-53,66,69-70,81-91,119,133-134H,10,12-14,19,26-31,40,43,50-51,54-65,67-68H2,1-6H3,(H20-,116,117,118,120,121,122,123,124,125,126,127,128,129,130,135,136,137,138,139,140,141,142,143,144,145,146,147,148,149,150,151,152,153,154,155,156,157)/t81-,82+,83+,84+,85+,86+,87+,88+,89+,90-,91+/m1/s1

HIDE SMILES / InChI

Molecular Formula C115H145N17O25S
Molecular Weight 2197.546
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 4
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:49:58 GMT 2025
Edited
by admin
on Wed Apr 02 19:49:58 GMT 2025
Record UNII
8M3Q8XZ6MJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Alizulatide Vixocianine
INN  
Official Name English
L-Serine, N-[6-[2-[7-[1,3-dihydro-1,1-dimethyl-3-(4-sulfobutyl)-2H-benz[e]indol-2-ylidene]-1,3,5-heptatrien-1-yl]-1,1-dimethyl-1H-benz[e]indolio]-1-oxohexyl]-L-?-glutamyl-L-?-glutamyl-L-?-aspartyl-3-cyclohexyl-L-alanyl-L-phenylalanyl-D-seryl-D-arginyl-L-
Preferred Name English
alizulatide vixocianine [INN]
Common Name English
Code System Code Type Description
FDA UNII
8M3Q8XZ6MJ
Created by admin on Wed Apr 02 19:49:58 GMT 2025 , Edited by admin on Wed Apr 02 19:49:58 GMT 2025
PRIMARY
INN
13192
Created by admin on Wed Apr 02 19:49:58 GMT 2025 , Edited by admin on Wed Apr 02 19:49:58 GMT 2025
PRIMARY
NCI_THESAURUS
C211747
Created by admin on Wed Apr 02 19:49:58 GMT 2025 , Edited by admin on Wed Apr 02 19:49:58 GMT 2025
PRIMARY
CAS
2924859-51-6
Created by admin on Wed Apr 02 19:49:58 GMT 2025 , Edited by admin on Wed Apr 02 19:49:58 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY