PNU-177496

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H33N3O9
Molecular Weight	543.5656
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCNC(=O)[C@H](CC1=CC=C(OC(C(O)=O)C(O)=O)C=C1)NC(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O

InChI

InChIKey=BKONADSQADEJJP-SFTDATJTSA-N

InChI=1S/C27H33N3O9/c1-2-3-7-14-28-23(31)20(15-18-10-12-19(13-11-18)39-22(25(34)35)26(36)37)29-27(38)30-21(24(32)33)16-17-8-5-4-6-9-17/h4-6,8-13,20-22H,2-3,7,14-16H2,1H3,(H,28,31)(H,32,33)(H,34,35)(H,36,37)(H2,29,30,38)/t20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H33N3O9
Molecular Weight	543.5656
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:42:03 GMT 2025` Edited by `admin` on `Mon Mar 31 21:42:03 GMT 2025`
Record UNII	BSW3GP3Z2B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PNU-177496

Code

English

PROPANEDIOIC ACID, (4-((2S)-2-(((((1S)-1-CARBOXY-2-PHENYLETHYL)AMINO)CARBONYL)AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL)PHENOXY)-

Preferred Name

English

PROPANEDIOIC ACID, 2-(4-((2S)-2-(((((1S)-1-CARBOXY-2-PHENYLETHYL)AMINO)CARBONYL)AMINO)-3-OXO-3-(PENTYLAMINO)PROPYL)PHENOXY)-

Systematic Name

English

2-(4-((2S)-2-(((1-CARBOXY-2-PHENYLETHYL)CARBAMOYL)AMINO)-2-(PENTYLCARBAMOYL)ETHYL)PHENOXY)PROPANEDIOIC ACID

Systematic Name

English

PNU177496

Code

English

Code System Code Type Description

CAS

345266-97-9

Created by admin on Mon Mar 31 21:42:03 GMT 2025 , Edited by admin on Mon Mar 31 21:42:03 GMT 2025

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FDA UNII

BSW3GP3Z2B

Created by admin on Mon Mar 31 21:42:03 GMT 2025 , Edited by admin on Mon Mar 31 21:42:03 GMT 2025

PRIMARY

PUBCHEM

445784

Created by admin on Mon Mar 31 21:42:03 GMT 2025 , Edited by admin on Mon Mar 31 21:42:03 GMT 2025

PRIMARY

Related Record Type Details


					BSW3GP3Z2B

PNU-177496

ACTIVE MOIETY