NEMIFITIDE DITRIFLUTATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H43FN10O6.2C2HF3O2
Molecular Weight	922.803
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[H][C@]1(C[C@@H](O)CN1C(=O)[C@@H](N)CC2=CC=C(F)C=C2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC3=CNC4=C3C=CC=C4)C(N)=O

InChI

InChIKey=QXCFOJXOLMOPRK-QOXNQHIRSA-N

InChI=1S/C33H43FN10O6.2C2HF3O2/c34-20-9-7-18(8-10-20)12-23(35)32(50)44-17-21(45)14-27(44)31(49)43-25(6-3-11-39-33(37)38)30(48)41-16-28(46)42-26(29(36)47)13-19-15-40-24-5-2-1-4-22(19)24;2*3-2(4,5)1(6)7/h1-2,4-5,7-10,15,21,23,25-27,40,45H,3,6,11-14,16-17,35H2,(H2,36,47)(H,41,48)(H,42,46)(H,43,49)(H4,37,38,39);2*(H,6,7)/t21-,23+,25+,26+,27+;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C33H43FN10O6
Molecular Weight	694.7563
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C2HF3O2
Molecular Weight	114.0233
Charge	0
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 `Fri Dec 15 16:11:15 UTC 2023` Edited by `admin` on `Fri Dec 15 16:11:15 UTC 2023`
Record UNII	27454M5E8Z
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEMIFITIDE DITRIFLUTATE

Official Name

English

4-FLUORO-L-PHENYLALANYL-TRANS-4-HYDROXY-L-PROLYL-L-ARGINYLGLYCYL-L-TRYPTOPHANAMIDE BIS(TRIFLUOROACETATE) (SALT)

Common Name

English

NEMIFITIDE DITRIFLUTATE [USAN]

Common Name

English

INN-00835

Code

English

NEMIFITIDE BIS(TRIFLUOROACETATE) [MI]

Common Name

English

L-TRYPTOPHANAMIDE, 4-FLUORO-L-PHENYLALANYL-(4R)-4-HYDROXY-L-PROLYL-L-ARGINYLGLYCYL-BIS(TRIFLUOROACETATE) (SALT)

Common Name

English

NEMIFITIDE BIS(TRIFLUOROACETATE)

Common Name

English

INN 00835

Code

English

Code System Code Type Description

NCI_THESAURUS

C166549