SPIRUCHOSTATIN A (REDUCED)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H33N3O6S2
Molecular Weight	475.623
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H]1NC(=O)[C@@H](CS)NC(=O)[C@@H](C)NC(=O)C[C@H](OC(=O)C[C@@H]1O)\C=C\CCS

InChI

InChIKey=YTOHLXIXCGJIOG-HDXRNPEWSA-N

InChI=1S/C20H33N3O6S2/c1-11(2)18-15(24)9-17(26)29-13(6-4-5-7-30)8-16(25)21-12(3)19(27)22-14(10-31)20(28)23-18/h4,6,11-15,18,24,30-31H,5,7-10H2,1-3H3,(H,21,25)(H,22,27)(H,23,28)/b6-4+/t12-,13-,14-,15+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H33N3O6S2
Molecular Weight	475.623
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:29:52 GMT 2025` Edited by `admin` on `Mon Mar 31 21:29:52 GMT 2025`
Record UNII	22WUW98I2R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SPIRUCHOSTATIN A (REDUCED)

Common Name

English

REDYM

Preferred Name

English

CYCLO(D-ALANYL-D-CYSTEINYL-(3S,4R)-4-AMINO-3-HYDROXY-5-METHYLHEXANOYL-(3S,4E)-3-HYDROXY-7-MERCAPTO-4-HEPTENOYL)

Systematic Name

English

Code System Code Type Description

PUBCHEM

42631130

Created by admin on Mon Mar 31 21:29:52 GMT 2025 , Edited by admin on Mon Mar 31 21:29:52 GMT 2025

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FDA UNII

22WUW98I2R

Created by admin on Mon Mar 31 21:29:52 GMT 2025 , Edited by admin on Mon Mar 31 21:29:52 GMT 2025

PRIMARY

EPA CompTox

DTXSID001029732

Created by admin on Mon Mar 31 21:29:52 GMT 2025 , Edited by admin on Mon Mar 31 21:29:52 GMT 2025

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CAS

382607-39-8

Created by admin on Mon Mar 31 21:29:52 GMT 2025 , Edited by admin on Mon Mar 31 21:29:52 GMT 2025

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Related Record Type Details


					22WUW98I2R

SPIRUCHOSTATIN A (REDUCED)

ACTIVE MOIETY