BARZUXETAN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H34N4O10S
Molecular Weight	594.634
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CN(CC(O)=O)[C@@H](CN(CC(O)=O)[C@H]1CCCC[C@@H]1N(CC(O)=O)CC(O)=O)CC2=CC=C(C=C2)N=C=S

InChI

InChIKey=QZVREUUCWLULJM-HKBOAZHASA-N

InChI=1S/C26H34N4O10S/c31-22(32)11-28(12-23(33)34)19(9-17-5-7-18(8-6-17)27-16-41)10-29(13-24(35)36)20-3-1-2-4-21(20)30(14-25(37)38)15-26(39)40/h5-8,19-21H,1-4,9-15H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)/t19-,20+,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H34N4O10S
Molecular Weight	594.634
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:28:03 GMT 2023` Edited by `admin` on `Sat Dec 16 14:28:03 GMT 2023`
Record UNII	R6D8CX2KCP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BARZUXETAN

Official Name

English

GLYCINE, N-((1S,2S)-2-(BIS(CARBOXYMETHYL)AMINO)CYCLOHEXYL)-N-((2R)-2-(BIS(CARBOXYMETHYL)AMINO)-3-(4-ISOTHIOCYANATOPHENYL)PROPYL)-

Systematic Name

English

N-((1S,2S)-2-(BIS(CARBOXYMETHYL)AMINO)CYCLOHEXYL)-N-((2R)-2-(BIS(CARBOXYMETHYL)AMINO)-3-(4-ISOTHIOCYANATOPHENYL)PROPYL)GLYCINE

Systematic Name

English

CITC-CHXA''DTPA

Common Name

English

CHX-A''-DTPA

Common Name

English

barzuxetan [INN]

Common Name

English

Code System Code Type Description

PUBCHEM

59227296