BMS-955176

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H62N2O4S
Molecular Weight	691.018
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@@H](CC[C@@]1(CC[C@]3(C)[C@]2([H])CC[C@]4([H])[C@@]5(C)CC=C(C6=CC=C(C=C6)C(O)=O)C(C)(C)[C@]5([H])CC[C@@]34C)NCCN7CCS(=O)(=O)CC7)C(C)=C

InChI

InChIKey=XDMUFNNPLXHNKA-ZTESCHFWSA-N

InChI=1S/C42H62N2O4S/c1-28(2)31-14-19-42(43-22-23-44-24-26-49(47,48)27-25-44)21-20-40(6)33(36(31)42)12-13-35-39(5)17-15-32(29-8-10-30(11-9-29)37(45)46)38(3,4)34(39)16-18-41(35,40)7/h8-11,15,31,33-36,43H,1,12-14,16-27H2,2-7H3,(H,45,46)/t31-,33+,34-,35+,36+,39-,40+,41+,42-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C42H62N2O4S
Molecular Weight	691.018
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:20:11 GMT 2023` Edited by `admin` on `Sat Dec 16 10:20:11 GMT 2023`
Record UNII	4CA9IAU7RJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS-955176

Code

English

GSK-3532795

Code

English

BENZOIC ACID, 4-(17-((2-(1,1-DIOXIDO-4-THIOMORPHOLINYL)ETHYL)AMINO)-28-NORLUPA-2,20(29)-DIEN-3-YL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

4CA9IAU7RJ