UBISTATIN B

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H22N6O12S4
Molecular Weight	834.831
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(=O)(=O)C1=CC2=C(C=C1)C3=NN(N=C3C=C2)C4=CC=C(\C=C\C5=CC=C(C=C5S(O)(=O)=O)N6N=C7C=CC8=C(C=CC(=C8)S(O)(=O)=O)C7=N6)C(=C4)S(O)(=O)=O

InChI

InChIKey=UTWNYBLAPKDLAJ-OWOJBTEDSA-N

InChI=1S/C34H22N6O12S4/c41-53(42,43)25-9-11-27-21(15-25)5-13-29-33(27)37-39(35-29)23-7-3-19(31(17-23)55(47,48)49)1-2-20-4-8-24(18-32(20)56(50,51)52)40-36-30-14-6-22-16-26(54(44,45)46)10-12-28(22)34(30)38-40/h1-18H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)/b2-1+

HIDE SMILES / InChI

Molecular Formula	C34H22N6O12S4
Molecular Weight	834.831
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 20:00:07 GMT 2025` Edited by `admin` on `Tue Apr 01 20:00:07 GMT 2025`
Record UNII	M4E3WP25WV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

UBISTATIN B

Common Name

English

NSC-306455

Preferred Name

English

2H-Naphtho[1,2-d]triazole-7-sulfonic acid, 2,2?-[1,2-ethenediylbis(3-sulfo-4,1-phenylene)]bis-

Systematic Name

English

2,2?-[1,2-Ethenediylbis(3-sulfo-4,1-phenylene)]bis[2H-naphtho[1,2-d]triazole-7-sulfonic acid]

Systematic Name

English

Code System Code Type Description

CAS

94722-93-7