CHAETOCIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H28N6O6S4
Molecular Weight	696.84
Optical Activity	( + )
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12NC3=CC=CC=C3[C@]1(C[C@]45SS[C@](CO)(N(C)C4=O)C(=O)N25)[C@]67C[C@]89SS[C@](CO)(N(C)C8=O)C(=O)N9[C@@]6([H])NC%10=CC=CC=C7%10

InChI

InChIKey=PZPPOCZWRGNKIR-PNVYSBBASA-N

InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H28N6O6S4
Molecular Weight	696.84
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:43:00 GMT 2023` Edited by `admin` on `Sat Dec 16 08:43:00 GMT 2023`
Record UNII	DF939M63W4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHAETOCIN A

Common Name

English

(10B,10'B(11H,11'H)-BI-3,11A-EPIDITHIO-11AH-PYRAZINO(1',2':1,5)PYRROLO(2,3-B)INDOLE)-1,1',4,4'-TETRONE, 2,2',3,3',5A,5'A,6,6'-OCTAHYDRO-3,3'-BIS(HYDROXYMETHYL)-2,2'-DIMETHYL-, (3S,3'S,5AR,5'AR,10BR,10'BR,11AS,11'AS)-

Systematic Name

English

(+)-CHAETOCIN

Common Name

English

CHETOCIN

Common Name

English

(+)-CHAETOCIN A

Common Name

English

CHAETOCIN

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID601017583

Created by admin on Sat Dec 16 08:43:00 GMT 2023 , Edited by admin on Sat Dec 16 08:43:00 GMT 2023

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PUBCHEM

11657687

Created by admin on Sat Dec 16 08:43:00 GMT 2023 , Edited by admin on Sat Dec 16 08:43:00 GMT 2023

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FDA UNII

DF939M63W4

Created by admin on Sat Dec 16 08:43:00 GMT 2023 , Edited by admin on Sat Dec 16 08:43:00 GMT 2023

PRIMARY

CAS

28097-03-2

Created by admin on Sat Dec 16 08:43:00 GMT 2023 , Edited by admin on Sat Dec 16 08:43:00 GMT 2023

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