ICAM-1988

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22Cl2N4O6S
Molecular Weight	541.404
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)[C@H](CNC(=O)[C@@H]1CSCN1)NC(=O)C2=C(Cl)C=C(CNC(=O)\C=C\C3=CC=CO3)C=C2Cl

InChI

InChIKey=NKAQYHXMQJFUKQ-RYTMFUSVSA-N

InChI=1S/C22H22Cl2N4O6S/c23-14-6-12(8-25-18(29)4-3-13-2-1-5-34-13)7-15(24)19(14)21(31)28-16(22(32)33)9-26-20(30)17-10-35-11-27-17/h1-7,16-17,27H,8-11H2,(H,25,29)(H,26,30)(H,28,31)(H,32,33)/b4-3+/t16-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H22Cl2N4O6S
Molecular Weight	541.404
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:14:21 GMT 2025` Edited by `admin` on `Mon Mar 31 18:14:21 GMT 2025`
Record UNII	H1N7U7VZ18
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ICAM-1988

Code

English

(2S)-2-((2,6-DICHLORO-4-((((2E)-3-(2-FURYL)PROP-2-ENOYL)AMINO)METHYL)BENZOYL)AMINO)-3-(((4R)-1,3-THIAZOLIDIN-4-YLCARBONYL)AMINO)PROPANOIC ACID

Preferred Name

English

L-ALANINE, N-(2,6-DICHLORO-4-((((2E)-3-(2-FURANYL)-1-OXO-2-PROPEN-1-YL)AMINO)METHYL)BENZOYL)-3-(((4R)-4-THIAZOLIDINYLCARBONYL)AMINO)-

Systematic Name

English

L-ALANINE, N-(2,6-DICHLORO-4-(((3-(2-FURANYL)-1-OXO-2-PROPENYL)AMINO)METHYL)BENZOYL)-3-(((4R)-4-THIAZOLIDINYLCARBONYL)AMINO)-

Systematic Name

English

L-ALANINE, N-(2,6-DICHLORO-4-(((3-(2-FURANYL)-1-OXO-2-PROPEN-1-YL)AMINO)METHYL)BENZOYL)-3-(((4R)-4-THIAZOLIDINYLCARBONYL)AMINO)-

Systematic Name

English

Code System Code Type Description

FDA UNII

H1N7U7VZ18

Created by admin on Mon Mar 31 18:14:21 GMT 2025 , Edited by admin on Mon Mar 31 18:14:21 GMT 2025

PRIMARY

PUBCHEM

12106147

Created by admin on Mon Mar 31 18:14:21 GMT 2025 , Edited by admin on Mon Mar 31 18:14:21 GMT 2025

PRIMARY

CAS

444169-80-6

Created by admin on Mon Mar 31 18:14:21 GMT 2025 , Edited by admin on Mon Mar 31 18:14:21 GMT 2025

PRIMARY

CAS

870484-75-6

Created by admin on Mon Mar 31 18:14:21 GMT 2025 , Edited by admin on Mon Mar 31 18:14:21 GMT 2025

NON-SPECIFIC STEREOCHEMISTRY

Related Record Type Details


					H1N7U7VZ18

ICAM-1988

ACTIVE MOIETY