VALATEGRAST

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H32Cl3N3O4
Molecular Weight	604.952
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCN(CC)CCOC(=O)[C@H](CC1=CC=C(NC(=O)C2=C(Cl)C=CC=C2Cl)C=C1)NC(=O)C3=C(C)C=CC=C3Cl

InChI

InChIKey=VZVNFRFMDNFPOM-VWLOTQADSA-N

InChI=1S/C30H32Cl3N3O4/c1-4-36(5-2)16-17-40-30(39)25(35-28(37)26-19(3)8-6-9-22(26)31)18-20-12-14-21(15-13-20)34-29(38)27-23(32)10-7-11-24(27)33/h6-15,25H,4-5,16-18H2,1-3H3,(H,34,38)(H,35,37)/t25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H32Cl3N3O4
Molecular Weight	604.952
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:02:05 UTC 2023` Edited by `admin` on `Fri Dec 15 16:02:05 UTC 2023`
Record UNII	06DM4KX7JG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VALATEGRAST

Official Name

English

L-PHENYLALANINE,N-(2-CHLORO-6-METHYLBENZOYL)-4-((2,6-DICHLOROBENZOYL)AMINO)-,2-(DIETHYLAMINO)ETHYL ESTER

Common Name

English

RO0272441

Code

English

RO-0272441

Code

English

2-(DIETHYLAMINO)ETHYL N-(2-CHLORO-6-METHYLBENZOYL)-4-((2,6-DICHLOROBENZOYL)AMINO)-L-PHENYLALANINATE

Systematic Name

English

valategrast [INN]

Common Name

English

R-411 FREE BASE

Code

English

R411 FREE BASE

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C2144