3-L-VALINEDESTRUXIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H49N5O7
Molecular Weight	579.7287
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@@H](NC1=O)C(C)C

InChI

InChIKey=LKJMCPAAJZITNV-OCCJOITDSA-N

InChI=1S/C29H49N5O7/c1-9-18(6)24-27(38)31-23(17(4)5)29(40)33(8)19(7)25(36)30-13-12-22(35)41-21(15-16(2)3)28(39)34-14-10-11-20(34)26(37)32-24/h16-21,23-24H,9-15H2,1-8H3,(H,30,36)(H,31,38)(H,32,37)/t18-,19-,20-,21+,23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H49N5O7
Molecular Weight	579.7287
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 `Mon Mar 31 22:13:46 GMT 2025` Edited by `admin` on `Mon Mar 31 22:13:46 GMT 2025`
Record UNII	MCT59A81D1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DEMETHYLDESTRUXIN B

Preferred Name

English

3-L-VALINEDESTRUXIN B

Common Name

English

CYCLO(N-METHYL-L-ALANYL-.BETA.-ALANYL-(2R)-2-HYDROXY-4-METHYLPENTANOYL-L-PROLYL-L-ISOLEUCYL-L-VALYL)

Systematic Name

English

DESTRUXIN B, 6-L-VALINE-

Common Name

English

DESTRUXIN B, 3-L-VALINE-

Common Name

English

DESMETHYLDESTRUXIN B

Common Name

English

DESTRUXIN DMDB

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID80950175

Created by admin on Mon Mar 31 22:13:46 GMT 2025 , Edited by admin on Mon Mar 31 22:13:46 GMT 2025

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FDA UNII

MCT59A81D1

Created by admin on Mon Mar 31 22:13:46 GMT 2025 , Edited by admin on Mon Mar 31 22:13:46 GMT 2025

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PUBCHEM

101306722

Created by admin on Mon Mar 31 22:13:46 GMT 2025 , Edited by admin on Mon Mar 31 22:13:46 GMT 2025

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CAS

27482-48-0

Created by admin on Mon Mar 31 22:13:46 GMT 2025 , Edited by admin on Mon Mar 31 22:13:46 GMT 2025

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