NA-808

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H49NO10
Molecular Weight	643.7643
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@](\C=C\CCCCCCC(=O)CCCCCCC)(C(=O)N[C@@H](CC1=CC=C(OCC#CC)C=C1)C(O)=O)[C@@](O)(CC(O)=O)C(O)=O

InChI

InChIKey=RZHKGHCZVMTIDL-XSRFUOEWSA-N

InChI=1S/C35H49NO10/c1-3-5-7-10-13-16-27(37)17-14-11-8-9-12-15-18-29(35(45,34(43)44)25-31(38)39)32(40)36-30(33(41)42)24-26-19-21-28(22-20-26)46-23-6-4-2/h15,18-22,29-30,45H,3,5,7-14,16-17,23-25H2,1-2H3,(H,36,40)(H,38,39)(H,41,42)(H,43,44)/b18-15+/t29-,30+,35+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H49NO10
Molecular Weight	643.7643
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:32:26 GMT 2023` Edited by `admin` on `Sat Dec 16 11:32:26 GMT 2023`
Record UNII	KG6QPD6JM9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NA-808

Code

English

CH-4630808

Code

English

(2S)-2-((E,1S)-1-(((1S)-1-((4-BUT-2-YNOXYPHENYL)METHYL)-2-HYDROXY-2-OXO-ETHYL)CARBAMOYL)-10-OXO-HEPTADEC-2-ENYL)-2-HYDROXY-BUTANEDIOIC ACID

Systematic Name

English

CH4630808

Code

English

D-ERYTHRO-PENTONIC ACID, 5-(((1S)-2-(4-(2-BUTYNYLOXY)PHENYL)-1-CARBOXYETHYL)AMINO)-3-C-CARBOXY-2,4,5-TRIDEOXY-5-OXO-4-(9-OXO-1-HEXADECENYL)-

Systematic Name

English

D-ERYTHRO-PENTONIC ACID, 5-(((1S)-2-(4-(2-BUTYN-1-YLOXY)PHENYL)-1-CARBOXYETHYL)AMINO)-3-C-CARBOXY-2,4,5-TRIDEOXY-5-C-OXO-4-((1E)-9-OXO-1-HEXADECEN-1-YL)-

Systematic Name

English

NA808

Code

English

Code System Code Type Description

CAS

827034-92-4