11,11'-DIDEOXYVERTICILLIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H28N6O4S4
Molecular Weight	664.841
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 11,11'-DIDEOXYVERTICILLIN A

Structure Search

SMILES

CN1C(=O)[C@@]23C[C@]4([C@H](NC5=CC=CC=C45)N2C(=O)[C@]1(C)SS3)[C@]67C[C@]89SS[C@](C)(N(C)C8=O)C(=O)N9[C@H]6NC%10=CC=CC=C7%10

InChI

InChIKey=PVVLIIZIQXDFSP-PNVYSBBASA-N

InChI=1S/C30H28N6O4S4/c1-25-21(37)35-19-27(15-9-5-7-11-17(15)31-19,13-29(35,43-41-25)23(39)33(25)3)28-14-30-24(40)34(4)26(2,42-44-30)22(38)36(30)20(28)32-18-12-8-6-10-16(18)28/h5-12,19-20,31-32H,13-14H2,1-4H3/t19-,20-,25+,26+,27+,28+,29+,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H28N6O4S4
Molecular Weight	664.841
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 `Mon Mar 31 21:47:26 GMT 2025` Edited by `admin` on `Mon Mar 31 21:47:26 GMT 2025`
Record UNII	L03PG2D98P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZH-4B

Preferred Name

English

11,11'-DIDEOXYVERTICILLIN A

Common Name

English

(+)-11,11'-DIDEOXYVERTICILLIN 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-2,2',3,3'-TETRAMETHYL-, (3S,3'S,5AR,5'AR,10BR,10'BR,11AS,11'AS)-

Systematic Name

English

11,11'-DIDEOXYVERTICILLIN A, (+)-

Common Name

English

(3S,3'S,5AR,5'AR,10BR,10'BR,11AS,11'AS)-2,2',3,3',5A,5'A,6,6'-OCTAHYDRO-2,2',3,3'-TETRAMETHYL(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

Code System Code Type Description

FDA UNII

L03PG2D98P

Created by admin on Mon Mar 31 21:47:26 GMT 2025 , Edited by admin on Mon Mar 31 21:47:26 GMT 2025

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PUBCHEM

3084126

Created by admin on Mon Mar 31 21:47:26 GMT 2025 , Edited by admin on Mon Mar 31 21:47:26 GMT 2025

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