D-GLUTAMIC ACID, PEGLOPRASTIDE-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H49N3O11S2
Molecular Weight	811.961
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	4
Charge	0

SHOW SMILES / InChI

Structure of D-GLUTAMIC ACID, PEGLOPRASTIDE-

Structure Search

SMILES

CCN1\C(=C\C=C\C=C\C=C\C2=[N+](CCCCCC(=O)N[C@H](CCC(O)=O)C(O)=O)C3=C(C=C(C=C3)S([O-])(=O)=O)C2(C)C)C(C)(C)C4=C1C=CC(=C4)S(O)(=O)=O

InChI

InChIKey=AFXHJKQVAJNPST-WJOKGBTCSA-N

InChI=1S/C40H49N3O11S2/c1-6-42-32-21-18-27(55(49,50)51)25-29(32)39(2,3)34(42)15-11-8-7-9-12-16-35-40(4,5)30-26-28(56(52,53)54)19-22-33(30)43(35)24-14-10-13-17-36(44)41-31(38(47)48)20-23-37(45)46/h7-9,11-12,15-16,18-19,21-22,25-26,31H,6,10,13-14,17,20,23-24H2,1-5H3,(H4-,41,44,45,46,47,48,49,50,51,52,53,54)/t31-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H49N3O11S2
Molecular Weight	811.961
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	4
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:12:12 GMT 2023` Edited by `admin` on `Sat Dec 16 15:12:12 GMT 2023`
Record UNII	JXT77QU2W5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

D-GLUTAMIC ACID, PEGLOPRASTIDE-

Common Name

English

N-(6-(2-(7-(1-ETHYL-1,3-DIHYDRO-3,3-DIMETHYL-5-SULFO-2H-INDOL-2-YLIDENE)-1,3,5-HEPTATRIEN-1-YL)-3,3-DIMETHYL-5-SULFOINDOLIO)-1-OXOHEXYL)-D-.ALPHA.-GLUTAMIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

137528175

Created by admin on Sat Dec 16 15:12:12 GMT 2023 , Edited by admin on Sat Dec 16 15:12:12 GMT 2023

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FDA UNII

JXT77QU2W5

Created by admin on Sat Dec 16 15:12:12 GMT 2023 , Edited by admin on Sat Dec 16 15:12:12 GMT 2023

PRIMARY