TETRADECYL AMINOBUTYROYLVALYLAMINOBUTYRIC UREA TRIFLUOROACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H56N6O5.2C2HF3O2
Molecular Weight	784.8281
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TETRADECYL AMINOBUTYROYLVALYLAMINOBUTYRIC UREA TRIFLUOROACETATE

Structure Search

SMILES

OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.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=PUHIYNTXUULLTL-YZYZGRISSA-N

InChI=1S/C28H56N6O5.2C2HF3O2/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;2*3-2(4,5)1(6)7/h21-24H,4-20,29-30H2,1-3H3,(H,32,36)(H,34,35)(H,37,38)(H2,31,33,39);2*(H,6,7)/t22-,23-,24-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C2HF3O2
Molecular Weight	114.0233
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 `Tue Apr 01 17:19:53 GMT 2025` Edited by `admin` on `Tue Apr 01 17:19:53 GMT 2025`
Record UNII	0UBP26S1LG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SYN-HYCAN

Preferred Name

English

TETRADECYL AMINOBUTYROYLVALYLAMINOBUTYRIC UREA TRIFLUOROACETATE

Official Name

English

3,6,9,11-TETRAAZAPENTACOSANOIC ACID, 2,8-BIS(2-AMINOETHYL)-5-(1-METHYLETHYL)-4,7,10-TRIOXO-, (2S,5S,8S)-, 2,2,2-TRIFLUOROACETATE (1:2)

Systematic Name

English

TETRADECYLAMINOCARBONYL-DAB-VAL-DAB BISTRIFLUOROACETATE

Common Name

English

Code System Code Type Description

FDA UNII

0UBP26S1LG