A-65317

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C38H58N6O9
Molecular Weight	742.9019
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(CN(CC)C(=O)O1)[C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@@H](CC(=O)N(C)CCOCOCCOC)CC4=CC=CC=C4

InChI

InChIKey=JZRFAIHFMIECQR-AJISXOSTSA-N

InChI=1S/C38H58N6O9/c1-4-44-24-33(53-38(44)49)35(46)31(20-28-13-9-6-10-14-28)41-37(48)32(22-30-23-39-25-40-30)42-36(47)29(19-27-11-7-5-8-12-27)21-34(45)43(2)15-16-51-26-52-18-17-50-3/h5,7-8,11-12,23,25,28-29,31-33,35,46H,4,6,9-10,13-22,24,26H2,1-3H3,(H,39,40)(H,41,48)(H,42,47)/t29-,31+,32+,33+,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C38H58N6O9
Molecular Weight	742.9019
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:55:50 GMT 2023` Edited by `admin` on `Sat Dec 16 09:55:50 GMT 2023`
Record UNII	4DEV5X6A19
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

A-65317

Common Name

English

BUTANEDIAMIDE, N1-((1S)-2-(((1S,2R)-1-(CYCLOHEXYLMETHYL)-2-((5S)-3-ETHYL-2-OXO-5-OXAZOLIDINYL)-2-HYDROXYETHYL)AMINO)-1-(1H-IMIDAZOL-5-YLMETHYL)-2-OXOETHYL)-N4-(2-((2-METHOXYETHOXY)METHOXY)ETHYL)-N4-METHYL-2-(PHENYLMETHYL)-, (2R)-

Systematic Name

English

BUTANEDIAMIDE, N1-(2-((1-(CYCLOHEXYLMETHYL)-2-(3-ETHYL-2-OXO-5-OXAZOLIDINYL)-2-HYDROXYETHYL)AMINO)-1-(1H-IMIDAZOL-4-YLMETHYL)-2-OXOETHYL)-N4-(2-((2-METHOXYETHOXY)METHOXY)ETHYL)-N4-METHYL-2-(PHENYLMETHYL)-, (5S-(5R*(1R*(R*(S*)),2S*)))-

Systematic Name

English

Code System Code Type Description

FDA UNII

4DEV5X6A19

Created by admin on Sat Dec 16 09:55:50 GMT 2023 , Edited by admin on Sat Dec 16 09:55:50 GMT 2023

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PUBCHEM

9896827

Created by admin on Sat Dec 16 09:55:50 GMT 2023 , Edited by admin on Sat Dec 16 09:55:50 GMT 2023

PRIMARY

CAS

122224-84-4

Created by admin on Sat Dec 16 09:55:50 GMT 2023 , Edited by admin on Sat Dec 16 09:55:50 GMT 2023

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EPA CompTox

DTXSID40879838

Created by admin on Sat Dec 16 09:55:50 GMT 2023 , Edited by admin on Sat Dec 16 09:55:50 GMT 2023

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