(3S)-3-(((2S)-1-(((2S)-2-(((2S)-2-ACETAMIDO-3-(4-HYDROXYPHENYL)PROPANOYL)AMINO)-3-METHYLBUTANOYL)AMINO)-1-OXOPROPAN-2-YL)AMINO)-4-OXOBUTANOIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H32N4O8
Molecular Weight	492.5222
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3S)-3-(((2S)-1-(((2S)-2-(((2S)-2-ACETAMIDO-3-(4-HYDROXYPHENYL)PROPANOYL)AMINO)-3-METHYLBUTANOYL)AMINO)-1-OXOPROPAN-2-YL)AMINO)-4-OXOBUTANOIC ACID

Structure Search

SMILES

CC(C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(C)=O)C(=O)NC(=O)[C@H](C)N[C@@H](CC(O)=O)C=O

InChI

InChIKey=KQCBPHUOVBKBPQ-SJVNDZIOSA-N

InChI=1S/C23H32N4O8/c1-12(2)20(23(35)27-21(33)13(3)24-16(11-28)10-19(31)32)26-22(34)18(25-14(4)29)9-15-5-7-17(30)8-6-15/h5-8,11-13,16,18,20,24,30H,9-10H2,1-4H3,(H,25,29)(H,26,34)(H,31,32)(H,27,33,35)/t13-,16-,18-,20-/m0/s1

HIDE SMILES / InChI

Approval Year

PubMed

Title	Date	PubMed
Type III secretion system 1 of Vibrio parahaemolyticus induces oncosis in both epithelial and monocytic cell lines.	2009-03	19246755

Patents

Name

Type

Language

(3S)-3-(((2S)-1-(((2S)-2-(((2S)-2-ACETAMIDO-3-(4-HYDROXYPHENYL)PROPANOYL)AMINO)-3-METHYLBUTANOYL)AMINO)-1-OXOPROPAN-2-YL)AMINO)-4-OXOBUTANOIC ACID

Preferred Name

English

Code System Code Type Description

PUBCHEM

3034818

Created by admin on Mon Mar 31 19:43:59 GMT 2025 , Edited by admin on Mon Mar 31 19:43:59 GMT 2025

PRIMARY

FDA UNII

1KGW9SKX3I

Created by admin on Mon Mar 31 19:43:59 GMT 2025 , Edited by admin on Mon Mar 31 19:43:59 GMT 2025

PRIMARY

SUBSTANCE RECORD


					1KGW9SKX3I

(3S)-3-(((2S)-1-(((2S)-2-(((2S)-2-ACETAMIDO-3-(4-HYDROXYPHENYL)PROPANOYL)AMINO)-3-METHYLBUTANOYL)AMINO)-1-OXOPROPAN-2-YL)AMINO)-4-OXOBUTANOIC ACID