ZAURATEGRAST

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H25BrN4O3
Molecular Weight	521.406
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)[C@H](CC1=CC=C(NC2=C3C=NC=CC3=CC=N2)C=C1)NC4=C(Br)C(=O)C45CCCCC5

InChI

InChIKey=KYHVWHYLKOHLKA-FQEVSTJZSA-N

InChI=1S/C26H25BrN4O3/c27-21-22(26(23(21)32)10-2-1-3-11-26)31-20(25(33)34)14-16-4-6-18(7-5-16)30-24-19-15-28-12-8-17(19)9-13-29-24/h4-9,12-13,15,20,31H,1-3,10-11,14H2,(H,29,30)(H,33,34)/t20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H25BrN4O3
Molecular Weight	521.406
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 `Sat Dec 16 17:33:37 UTC 2023` Edited by `admin` on `Sat Dec 16 17:33:37 UTC 2023`
Record UNII	06A0IC74I3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZAURATEGRAST

Official Name

English

N-(2-BROMO-3-OXOSPIRO(3.5)NON-1-EN-1-YL)-4-(2,7-NAPHTHYRIDIN-1-YLAMINO)-L-PHENYLALANINE

Common Name

English

CT-7758

Code

English

CT7758

Code

English

(2S)-2-((2-BROMO-3-OXOSPIRO(3.5)NON-1-EN-1-YL)AMINO)-3-(4-((2,7-NAPHTHYRIDIN-1-YL)AMINO)PHENYL)PROPANOIC ACID

Systematic Name

English

Zaurategrast [WHO-DD]

Common Name

English

zaurategrast [INN]

Common Name

English

L-PHENYLALANINE, N-(2-BROMO-3-OXOSPIRO(3.5)NON-1-EN-1-YL)-4-(2,7-NAPHTHYRIDIN-1-YLAMINO)-

Common Name

English

(S)-3-(4-((2,7-NAPHTHYRIDIN-1-YL)AMINO)PHENYL)-2-((2-BROMO-3-OXOSPIRO(3.5)NON-1-EN-1-YL)AMINO)PROPANOIC ACID

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29712