BMS-189664 ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H34N6O4S.C2H4O2
Molecular Weight	538.66
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)=O.CS(=O)(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)NCC3CCN(CC3)C(N)=N

InChI

InChIKey=PUGWTXRFUQNWSR-VOMIJIAVSA-N

InChI=1S/C22H34N6O4S.C2H4O2/c1-33(31,32)26-18(14-16-6-3-2-4-7-16)21(30)28-11-5-8-19(28)20(29)25-15-17-9-12-27(13-10-17)22(23)24;1-2(3)4/h2-4,6-7,17-19,26H,5,8-15H2,1H3,(H3,23,24)(H,25,29);1H3,(H,3,4)/t18-,19+;/m1./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	C22H34N6O4S
Molecular Weight	478.608
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 18:08:49 GMT 2025` Edited by `admin` on `Mon Mar 31 18:08:49 GMT 2025`
Record UNII	KAR70O36D2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-PROLINAMIDE, N-(METHYLSULFONYL)-D-PHENYLALANYL-N-((1-(AMINOIMINOMETHYL)-4-PIPERIDINYL)METHYL)-, MONOACETATE

Preferred Name

English

BMS-189664 ACETATE

Common Name

English

Code System Code Type Description

CAS

185911-35-7

Created by admin on Mon Mar 31 18:08:49 GMT 2025 , Edited by admin on Mon Mar 31 18:08:49 GMT 2025

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FDA UNII

KAR70O36D2

Created by admin on Mon Mar 31 18:08:49 GMT 2025 , Edited by admin on Mon Mar 31 18:08:49 GMT 2025

PRIMARY

PUBCHEM

9893435

Created by admin on Mon Mar 31 18:08:49 GMT 2025 , Edited by admin on Mon Mar 31 18:08:49 GMT 2025

PRIMARY

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