APC-3316 HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H38N4O4S.ClH
Molecular Weight	611.194
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.CN1CCN(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC3=CC=CC=C3)\C=C\S(=O)(=O)C4=CC=CC=C4

InChI

InChIKey=LQWNIKXMCBIRLZ-WJFVNNBYSA-N

InChI=1S/C32H38N4O4S.ClH/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29;/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38);1H/b24-19+;/t28-,30-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C32H38N4O4S
Molecular Weight	574.734
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:19:41 UTC 2023` Edited by `admin` on `Sat Dec 16 08:19:41 UTC 2023`
Record UNII	020D5NP7QT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

APC-3316 HYDROCHLORIDE

Code

English

1-PIPERAZINECARBOXAMIDE, 4-METHYL-N-((1S)-2-OXO-2-(((1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)-2-PROPENYL)AMINO)-1-(PHENYLMETHYL)ETHYL)-, MONOHYDROCHLORIDE

Systematic Name

English

K777 hydrochloride

Code

English

1-PIPERAZINECARBOXAMIDE, 4-METHYL-N-((1S)-2-OXO-2-(((1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)-2-PROPEN-1-YL)AMINO)-1-(PHENYLMETHYL)ETHYL)-, HYDROCHLORIDE (1:1)

Systematic Name

English

K-777 HYDROCHLORIDE

Code

English

K-11777 HYDROCHLORIDE

Code

English

Code System Code Type Description

FDA UNII

020D5NP7QT

Created by admin on Sat Dec 16 08:19:41 UTC 2023 , Edited by admin on Sat Dec 16 08:19:41 UTC 2023

PRIMARY

CAS

502960-92-1

Created by admin on Sat Dec 16 08:19:41 UTC 2023 , Edited by admin on Sat Dec 16 08:19:41 UTC 2023

PRIMARY

PUBCHEM

72941829

Created by admin on Sat Dec 16 08:19:41 UTC 2023 , Edited by admin on Sat Dec 16 08:19:41 UTC 2023

PRIMARY

Related Record Type Details


					320A4L58IZ

K-777

ACTIVE MOIETY

Amount: