UBISTATIN A

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H24N4O16S4
Molecular Weight	872.832
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC1=C2N=CC=CC2=C(C=C1C(=O)NC3=CC(=C(\C=C\C4=CC=C(NC(=O)C5=CC(=C6C=CC=NC6=C5O)S(O)(=O)=O)C=C4S(O)(=O)=O)C=C3)S(O)(=O)=O)S(O)(=O)=O

InChI

InChIKey=NNHYHQPZMITHQP-AATRIKPKSA-N

InChI=1S/C34H24N4O16S4/c39-31-23(15-27(57(49,50)51)21-3-1-11-35-29(21)31)33(41)37-19-9-7-17(25(13-19)55(43,44)45)5-6-18-8-10-20(14-26(18)56(46,47)48)38-34(42)24-16-28(58(52,53)54)22-4-2-12-36-30(22)32(24)40/h1-16,39-40H,(H,37,41)(H,38,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b6-5+

HIDE SMILES / InChI

Molecular Formula	C34H24N4O16S4
Molecular Weight	872.832
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 `Mon Mar 31 22:20:58 GMT 2025` Edited by `admin` on `Mon Mar 31 22:20:58 GMT 2025`
Record UNII	S2SS9GB3XE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

UBISTATIN A

Common Name

English

NSC-665534

Preferred Name

English

5-QUINOLINESULFONIC ACID, 7,7'-(1,2-ETHENEDIYLBIS((3-SULFO-4,1-PHENYLENE)IMINOCARBONYL))BIS(8-HYDROXY-

Systematic Name

English

7,7'-(1,2-ETHENEDIYLBIS((3-SULFO-4,1-PHENYLENE)IMINOCARBONYL))BIS(8-HYDROXY-5-QUINOLINESULFONIC ACID)

Systematic Name

English

Code System Code Type Description

NSC

665534