ZETEKITOXIN AB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H24N8O12S
Molecular Weight	552.473
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@]3(C[N@]4C(N)=N[C@@]([H])(C(=O)N1OC[C@@H]2CO)[C@]5([H])N(COC(=O)NO)C(N)=N[C@]45C3(O)O)OS(O)(=O)=O

InChI

InChIKey=BJJIKPMJNDTIHW-FGWFJEOOSA-N

InChI=1S/C16H24N8O12S/c17-11-19-8-9-15(20-12(18)22(9)5-34-13(27)21-30)16(28,29)14(4-23(11)15,36-37(31,32)33)1-7-6(2-25)3-35-24(7)10(8)26/h6-9,25,28-30H,1-5H2,(H2,17,19)(H2,18,20)(H,21,27)(H,31,32,33)/t6-,7-,8+,9-,14+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H24N8O12S
Molecular Weight	552.473
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:30:22 GMT 2023` Edited by `admin` on `Sat Dec 16 17:30:22 GMT 2023`
Record UNII	C7A2UZ79FJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZETEKITOXIN AB

Common Name

English

CARBAMIC ACID, HYDROXY-, ((3AS,4R,6R,7AS,8S,13R,13AS)-2,15-DIAMINO-5,6,7,7A,8,9,13,13A-OCTAHYDRO-16,16-DIHYDROXY-8-(HYDROXYMETHYL)-12-OXO-6-(SULFOOXY)-3A,6-METHANO-13,4-(NITRILOMETHENO)IMIDAZO(4,5-G)ISOXAZOLO(2,3-A)(1,6)DIAZECIN-1(12H)-YL)METHYL ESTER

Systematic Name

English

((3AS,4R,6R,7AS,8S,13R,13AS)-2,15-DIAMINO-5,6,7,7A,8,9,13,13A-OCTAHYDRO-16,16-DIHYDROXY-8-(HYDROXYMETHYL)-12-OXO-6-(SULFOOXY)-3A,6-METHANO-13,4-(NITRILOMETHENO)IMIDAZO(4,5-G)ISOXAZOLO(2,3-A)(1,6)DIAZECIN-1(12H)-YL)METHYL N-HYDROXYCARBAMATE

Systematic Name

English

Code System Code Type Description

CAS

62996-38-7