DIPEPTIDE DIAMINOBUTYROYL BENZYLAMIDE DIACETATE

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Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H29N5O3.2C2H4O2
Molecular Weight	495.5692
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIPEPTIDE DIAMINOBUTYROYL BENZYLAMIDE DIACETATE

Structure Search

SMILES

CC(O)=O.CC(O)=O.NCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCN)C(=O)NCC2=CC=CC=C2

InChI

InChIKey=HSUGRPOJOBRRBK-SXBSVMRRSA-N

InChI=1S/C19H29N5O3.2C2H4O2/c20-10-8-15(18(26)22-13-14-5-2-1-3-6-14)23-19(27)16-7-4-12-24(16)17(25)9-11-21;2*1-2(3)4/h1-3,5-6,15-16H,4,7-13,20-21H2,(H,22,26)(H,23,27);2*1H3,(H,3,4)/t15-,16-;;/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	C19H29N5O3
Molecular Weight	375.4653
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:21:19 GMT 2025` Edited by `admin` on `Mon Mar 31 20:21:19 GMT 2025`
Record UNII	38H206R00R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIPEPTIDE DIAMINOBUTYROYL BENZYLAMIDE DIACETATE

Official Name

English

SYN-AKE

Preferred Name

English

BUTANAMIDE, .BETA.-ALANYL-L-PROLYL-2,4-DIAMINO-N-(PHENYLMETHYL)-, (2S)-, DIACETATE

Systematic Name

English

?Ala-Pro-Dab-NHBn.2CH3CO2H

Common Name

English

BUTANAMIDE, .BETA.-ALANYL-L-PROLYL-2,4-DIAMINO-N-(PHENYLMETHYL)-, (2S)-, ACETATE (1:2)

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40231699