Tetradecyl Aminobutyroylvalylaminobutyric Urea Acetate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H56N6O5.C2H4O2
Molecular Weight	616.8334
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Tetradecyl Aminobutyroylvalylaminobutyric Urea Acetate

Structure Search

SMILES

CC(O)=O.CCCCCCCCCCCCCCNC(=O)N[C@@H](CCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCN)C(O)=O

InChI

InChIKey=PPONGEZSVBOTMO-NYTZCTPBSA-N

InChI=1S/C28H56N6O5.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-31-28(39)33-22(16-18-29)25(35)34-24(21(2)3)26(36)32-23(17-19-30)27(37)38;1-2(3)4/h21-24H,4-20,29-30H2,1-3H3,(H,32,36)(H,34,35)(H,37,38)(H2,31,33,39);1H3,(H,3,4)/t22-,23-,24-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C2H4O2
Molecular Weight	60.052
Charge	0
Count

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

Molecular Formula	C28H56N6O5
Molecular Weight	556.7814
Charge	0
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 `Wed Apr 02 21:20:55 GMT 2025` Edited by `admin` on `Wed Apr 02 21:20:55 GMT 2025`
Record UNII	2KCN8SDT4V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,6,9,11-Tetraazapentacosanoic acid, 2,8-bis(2-aminoethyl)-5-(1-methylethyl)-4,7,10-trioxo-, (2S,5S,8S)-, acetate (1:1)

Preferred Name

English

Tetradecyl Aminobutyroylvalylaminobutyric Urea Acetate

Official Name

English

Code System Code Type Description

FDA UNII

2KCN8SDT4V

Created by admin on Wed Apr 02 21:20:55 GMT 2025 , Edited by admin on Wed Apr 02 21:20:55 GMT 2025

PRIMARY

CAS

2922053-00-5

Created by admin on Wed Apr 02 21:20:55 GMT 2025 , Edited by admin on Wed Apr 02 21:20:55 GMT 2025

PRIMARY

Related Record Type Details


					ICI9WA3M5L

TETRADECYL AMINOBUTYROYLVALYLAMINOBUTYRIC UREA

PARENT -> SALT/SOLVATE

Amount: