VERTICILLIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H28N6O6S4
Molecular Weight	696.84
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C(=O)[C@]23SS[C@@]1(C)C(=O)N2[C@H]4NC5=CC=CC=C5[C@]4([C@@H]3O)[C@]67[C@H](NC8=CC=CC=C68)N9C(=O)[C@]%10(C)SS[C@@]9([C@H]7O)C(=O)N%10C

InChI

InChIKey=IMGTYEJTVRXGLW-LRESJZTJSA-N

InChI=1S/C30H28N6O6S4/c1-25-21(39)35-19-27(13-9-5-7-11-15(13)31-19,17(37)29(35,45-43-25)23(41)33(25)3)28-14-10-6-8-12-16(14)32-20(28)36-22(40)26(2)34(4)24(42)30(36,18(28)38)46-44-26/h5-12,17-20,31-32,37-38H,1-4H3/t17-,18-,19+,20+,25-,26-,27+,28+,29-,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C30H28N6O6S4
Molecular Weight	696.84
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:36:00 GMT 2025` Edited by `admin` on `Mon Mar 31 22:36:00 GMT 2025`
Record UNII	58I545M8NQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VERTICILLIN A [MI]

Preferred Name

English

VERTICILLIN A

Common Name

English

VERTICILLIN 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-11,11'-DIHYDROXY-2,2',3,3'-TETRAMETHYL-, (3S,3'S,5AR,5'AR,10BS,10'BS,11S,11'S,11AS,11'AS)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

72710747