NEMIFITIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H43FN10O6
Molecular Weight	694.7563
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[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=SGXPTOACEHQGHL-RCNLLYRESA-N

InChI=1S/C33H43FN10O6/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/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)/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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:15:21 UTC 2023` Edited by `admin` on `Sat Dec 16 16:15:21 UTC 2023`
Record UNII	RO19OXA9NG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NEMIFITIDE

Official Name

English

NEMIFITIDE [MI]

Common Name

English

4-FLUORO-L-PHENYLALANYL-(4R)-4-HYDROXY-L-PROLYL-L-ARGINYLGLYCYL-L-TRYPTOPHANAMIDE

Common Name

English

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

Common Name

English

nemifitide [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C265