CYCLOTHIALIDINE C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H35N5O11S
Molecular Weight	625.648
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](N)C(=O)N1CC[C@@H](O)[C@H]1C(=O)N[C@H]2COC(=O)C3=C(C)C(O)=CC(O)=C3CSC[C@H](NC2=O)C(=O)N[C@@H](C)C(O)=O

InChI

InChIKey=FSQBBUCGXSRLHM-UBOLUKANSA-N

InChI=1S/C26H35N5O11S/c1-10-17(33)6-18(34)13-8-43-9-15(22(36)28-12(3)25(39)40)30-21(35)14(7-42-26(41)19(10)13)29-23(37)20-16(32)4-5-31(20)24(38)11(2)27/h6,11-12,14-16,20,32-34H,4-5,7-9,27H2,1-3H3,(H,28,36)(H,29,37)(H,30,35)(H,39,40)/t11-,12-,14-,15-,16+,20-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H35N5O11S
Molecular Weight	625.648
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 10:53:49 GMT 2023` Edited by `admin` on `Sat Dec 16 10:53:49 GMT 2023`
Record UNII	NF9U2LVF79
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYCLOTHIALIDINE C

Common Name

English

L-ALANINE, L-ALANYL-(3R)-3-HYDROXY-L-PROLYL-O-(3,5-DIHYDROXY-2-(MERCAPTOMETHYL)-6-METHYLBENZOYL)-L-SERYL-L-CYSTEINYL-, CYCLIC (3->4)-THIOETHER

Systematic Name

English

GR-122222

Code

English

L-ALANINE, N-(N-(N-(1-L-ALANYL-3-HYDROXYPROLYL)-L-SERYL)-S-((2-CARBOXY-4,6-DIHYDROXY-3-METHYLPHENYL)METHYL)-L-CYSTEINYL)-, .KAPPA.-LACTONE

Common Name

English

GR-122222X

Code

English

Code System Code Type Description

EPA CompTox

DTXSID50167071

Created by admin on Sat Dec 16 10:53:49 GMT 2023 , Edited by admin on Sat Dec 16 10:53:49 GMT 2023

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PUBCHEM

10699166

Created by admin on Sat Dec 16 10:53:49 GMT 2023 , Edited by admin on Sat Dec 16 10:53:49 GMT 2023

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FDA UNII

NF9U2LVF79

Created by admin on Sat Dec 16 10:53:49 GMT 2023 , Edited by admin on Sat Dec 16 10:53:49 GMT 2023

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CAS

161161-54-2

Created by admin on Sat Dec 16 10:53:49 GMT 2023 , Edited by admin on Sat Dec 16 10:53:49 GMT 2023

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