WY-44655

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H27N2O5.Na
Molecular Weight	446.4713
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2[C@@H](CC3=C2C=CC=C3)C([O-])=O

InChI

InChIKey=XPOXELABJLPBTQ-FMCJTSGUSA-M

InChI=1S/C24H28N2O5.Na/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29;/h4-12,16,19,21,25H,3,13-15H2,1-2H3,(H,28,29);/q;+1/p-1/t16-,19-,21-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C24H27N2O5
Molecular Weight	423.4816
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:13:58 UTC 2023` Edited by `admin` on `Fri Dec 15 15:13:58 UTC 2023`
Record UNII	P9C4680QP7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

WY-44655

Code

English

(S)-1((2S)-2-(((1S)-1-(ETHOXY CARBONYL)-3-PHENYLPROPYL)AMINO)-1-OXOPROPYL)-2-3-DIHYDRO-1H-INDOLE-2-CARBOXYLATE, SODIUM SALT, L-

Common Name

English

Code System Code Type Description

PUBCHEM

23663952

Created by admin on Fri Dec 15 15:13:58 UTC 2023 , Edited by admin on Fri Dec 15 15:13:58 UTC 2023

PRIMARY

EPA CompTox

DTXSID201003340

Created by admin on Fri Dec 15 15:13:58 UTC 2023 , Edited by admin on Fri Dec 15 15:13:58 UTC 2023

PRIMARY

FDA UNII

P9C4680QP7

Created by admin on Fri Dec 15 15:13:58 UTC 2023 , Edited by admin on Fri Dec 15 15:13:58 UTC 2023

PRIMARY

CAS

83348-78-1

Created by admin on Fri Dec 15 15:13:58 UTC 2023 , Edited by admin on Fri Dec 15 15:13:58 UTC 2023

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Related Record Type Details


					TY9WO29PH1

WY-44655 FREE ACID

PARENT -> SALT/SOLVATE