CHAETOMIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H30N6O6S4
Molecular Weight	710.867
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
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)N6C=C(C[C@]78SS[C@](CO)(N(C)C7=O)C(=O)N8C)C9=CC=CC=C69

InChI

InChIKey=ZRZWBWPDBOVIGQ-YWZWRZHGSA-N

InChI=1S/C31H30N6O6S4/c1-33-25(42)30(15-38)34(2)23(40)28(33,44-46-30)12-17-13-36(21-11-7-4-8-18(17)21)27-14-29-24(41)35(3)31(16-39,47-45-29)26(43)37(29)22(27)32-20-10-6-5-9-19(20)27/h4-11,13,22,32,38-39H,12,14-16H2,1-3H3/t22-,27+,28+,29+,30+,31+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H30N6O6S4
Molecular Weight	710.867
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:47:47 GMT 2023` Edited by `admin` on `Fri Dec 15 19:47:47 GMT 2023`
Record UNII	BKU7CX6USX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHAETOMIN

Common Name

English

3,11a-Epidithio-11aH-pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4-dione, 2,3,5a,6,10b,11-hexahydro-3-(hydroxymethyl)-10b-[(1S,4S)-3-[[4-(hydroxymethyl)-5,7-dimethyl-6,8-dioxo-2,3-dithia-5,7-diazabicyclo[2.2.2]oct-1-yl]methyl]-1H-indol-1-yl]-2-methyl-,

Systematic Name

English

NSC-289491

Code

English

Code System Code Type Description

PUBCHEM

73583