ASP-7991

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H30N2O4
Molecular Weight	494.5809
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ASP-7991

Structure Search

SMILES

C[C@@H](NC[C@H]1CN(C[C@@H]1C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C(O)=O)C4=C5C=CC=CC5=CC=C4

InChI

InChIKey=BJFBVTUZMDZDML-ZCAZLTSLSA-N

InChI=1S/C31H30N2O4/c1-21(27-13-7-11-22-10-5-6-12-28(22)27)32-18-25-19-33(20-29(25)23-8-3-2-4-9-23)31(36)37-26-16-14-24(15-17-26)30(34)35/h2-17,21,25,29,32H,18-20H2,1H3,(H,34,35)/t21-,25+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C31H30N2O4
Molecular Weight	494.5809
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 21:24:09 GMT 2025` Edited by `admin` on `Wed Apr 02 21:24:09 GMT 2025`
Record UNII	S5D6NEU9CW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ASP7991

Preferred Name

English

ASP-7991

Common Name

English

4-Carboxyphenyl (3S,4S)-3-[[[(1R)-1-(1-naphthalenyl)ethyl]amino]methyl]-4-phenyl-1-pyrrolidinecarboxylate

Systematic Name

English

1-Pyrrolidinecarboxylic acid, 3-[[[(1R)-1-(1-naphthalenyl)ethyl]amino]methyl]-4-phenyl-, 4-carboxyphenyl ester, (3S,4S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

S5D6NEU9CW

Created by admin on Wed Apr 02 21:24:09 GMT 2025 , Edited by admin on Wed Apr 02 21:24:09 GMT 2025

PRIMARY

PUBCHEM

15605151

Created by admin on Wed Apr 02 21:24:09 GMT 2025 , Edited by admin on Wed Apr 02 21:24:09 GMT 2025

PRIMARY

CAS

915387-82-5

Created by admin on Wed Apr 02 21:24:09 GMT 2025 , Edited by admin on Wed Apr 02 21:24:09 GMT 2025

PRIMARY

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