Dazdotuftide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H68N13O13P
Molecular Weight	1006.0531
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC2=CC=C(O)C(=C2)\N=N\C3=CC=C(OP([O-])(=O)OCC[N+](C)(C)C)C=C3)C(O)=O

InChI

InChIKey=VXUMKMXYKWBBDK-JERYHNGXSA-N

InChI=1S/C43H68N13O13P/c1-26(57)37(45)40(62)52-31(9-5-6-18-44)41(63)55-20-8-11-34(55)39(61)51-30(10-7-19-48-43(46)47)38(60)49-25-36(59)50-33(42(64)65)24-27-12-17-35(58)32(23-27)54-53-28-13-15-29(16-14-28)69-70(66,67)68-22-21-56(2,3)4/h12-17,23,26,30-31,33-34,37,57H,5-11,18-22,24-25,44-45H2,1-4H3,(H10-,46,47,48,49,50,51,52,53,58,59,60,61,62,64,65,66,67)/t26-,30+,31+,33+,34+,37+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C43H68N13O13P
Molecular Weight	1006.0531
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:09:59 GMT 2023` Edited by `admin` on `Sat Dec 16 15:09:59 GMT 2023`
Record UNII	8V4LO73JNW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Dazdotuftide

Official Name

English

L-Tyrosine, L-threonyl-L-lysyl-L-prolyl-L-arginylglycyl-3-[(1E)-2-[4-[[hydroxy[2-(trimethylammonio)ethoxy]phosphinyl]oxy]phenyl]diazenyl]-, inner salt

Systematic Name

English

4-((E)-(5-(2-(2-((S)-2-((S)-1-(L-THREONYL-L-LYSYL)PYRROLIDINE-2-CARBOXAMIDO)-5-GUANIDINOPENTANAMIDO)ACETAMIDO)-2-CARBOXYETHYL)-2-HYDROXYPHENYL)DIAZENYL)PHENYL (2-(TRIMETHYLAMMONIO)ETHYL) PHOSPHATE

Systematic Name

English

TRS01

Code

English

TRS-01

Code

English

dazdotuftide [INN]

Common Name

English

L-threonyl-L-lysyl-L-prolyl-L-arginylglycyl-3-{(E)-[4- ({oxido[2-(trimethylazaniumyl)ethoxy] phosphoryl}oxy)phenyl]diazenyl}-L-tyrosine

Systematic Name

English

Code System Code Type Description

FDA UNII

8V4LO73JNW