SMDC-256160

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H44N4O4S
Molecular Weight	616.813
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)N1CCN(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=CDMPPSLHBUXBLH-CEWMFVNZSA-N

InChI=1S/C35H44N4O4S/c1-35(2,3)39-24-22-38(23-25-39)34(41)37-32(27-29-15-9-5-10-16-29)33(40)36-30(20-19-28-13-7-4-8-14-28)21-26-44(42,43)31-17-11-6-12-18-31/h4-18,21,26,30,32H,19-20,22-25,27H2,1-3H3,(H,36,40)(H,37,41)/b26-21+/t30-,32-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C35H44N4O4S
Molecular Weight	616.813
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 `Sat Dec 16 15:30:05 UTC 2023` Edited by `admin` on `Sat Dec 16 15:30:05 UTC 2023`
Record UNII	97BYM00ASD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SMDC-256160

Code

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

154572858

Created by admin on Sat Dec 16 15:30:06 UTC 2023 , Edited by admin on Sat Dec 16 15:30:06 UTC 2023

PRIMARY

CAS

1851279-09-8

Created by admin on Sat Dec 16 15:30:06 UTC 2023 , Edited by admin on Sat Dec 16 15:30:06 UTC 2023

PRIMARY

FDA UNII