VERTICILLIN D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H32N6O8S4
Molecular Weight	756.892
Optical Activity	( + )
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=SYHNGIDZSPMVHV-PYABMYGPSA-N

InChI=1S/C32H32N6O8S4/c1-13(39)29-25(45)37-21-27(15-9-5-7-11-17(15)33-21,19(41)31(37,49-47-29)23(43)35(29)3)28-16-10-6-8-12-18(16)34-22(28)38-26(46)30(14(2)40)36(4)24(44)32(38,20(28)42)50-48-30/h5-14,19-22,33-34,39-42H,1-4H3/t13-,14-,19+,20+,21-,22-,27-,28-,29+,30+,31+,32+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C32H32N6O8S4
Molecular Weight	756.892
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:13:48 GMT 2023` Edited by `admin` on `Sat Dec 16 12:13:48 GMT 2023`
Record UNII	7UN3QA3442
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VERTICILLIN D

Common Name

English

(+)-VERTICILLIN D

Common Name

English

(3S,3'S,5AR,5'AR,10BS,10'BS,11S,11'S,11AS,11'AS)-2,2',3,3',5A,5'A,6,6'-OCTAHYDRO-11,11'-DIHYDROXY-3,3'-BIS(1-HYDROXYETHYL)-2,2'-DIMETHYL(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

Systematic 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-11,11'-DIHYDROXY-3,3'-BIS(1-HYDROXYETHYL)-2,2'-DIMETHYL-, (3S,3'S,5AR,5'AR,10BS,10'BS,11S,11'S,11AS,11'AS)-

Systematic Name

English

VERTICILLIN D, (+)-

Common Name

English

Code System Code Type Description

PUBCHEM

134768544

Created by admin on Sat Dec 16 12:13:48 GMT 2023 , Edited by admin on Sat Dec 16 12:13:48 GMT 2023

PRIMARY

CAS

226905-58-4

Created by admin on Sat Dec 16 12:13:48 GMT 2023 , Edited by admin on Sat Dec 16 12:13:48 GMT 2023

PRIMARY

FDA UNII

7UN3QA3442

Created by admin on Sat Dec 16 12:13:48 GMT 2023 , Edited by admin on Sat Dec 16 12:13:48 GMT 2023

PRIMARY