SPORIDESMOLIDE 1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H58N4O8
Molecular Weight	638.8356
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]1(CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](OC(=O)[C@@]([H])(CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](OC1=O)C(C)C)C(C)C)C(C)C)C(C)C

InChI

InChIKey=VDFMWZBFYMHHDB-HPVGXKMSSA-N

InChI=1S/C33H58N4O8/c1-16(2)14-22-32(42)44-26(20(9)10)30(40)36-25(19(7)8)31(41)37(13)23(15-17(3)4)33(43)45-27(21(11)12)29(39)35-24(18(5)6)28(38)34-22/h16-27H,14-15H2,1-13H3,(H,34,38)(H,35,39)(H,36,40)/t22-,23+,24-,25+,26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H58N4O8
Molecular Weight	638.8356
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 `Sat Dec 16 10:47:00 GMT 2023` Edited by `admin` on `Sat Dec 16 10:47:00 GMT 2023`
Record UNII	9SOX10H3W3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SPORIDESMOLIDE 1

Common Name

English

CYCLO((2S)-2-HYDROXY-3-METHYLBUTANOYL-D-VALYL-D-LEUCYL-(2S)-2-HYDROXY-3-METHYLBUTANOYL-L-VALYL-N-METHYL-L-LEUCYL)

Common Name

English

SPORIDESMOLIDE I [MI]

Common Name

English

NSC-122224

Code

English

Code System Code Type Description

EPA CompTox

DTXSID70951616