N-[(2′-Cyano[1,1′-biphenyl]-4-yl)methyl]-N-(1-oxopentyl)-L-valine phenylmethyl ester

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H34N2O3
Molecular Weight	482.6133
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-[(2′-Cyano[1,1′-biphenyl]-4-yl)methyl]-N-(1-oxopentyl)-L-valine phenylmethyl ester

Structure Search

SMILES

CCCCC(=O)N(CC1=CC=C(C=C1)C2=C(C=CC=C2)C#N)[C@@H](C(C)C)C(=O)OCC3=CC=CC=C3

InChI

InChIKey=AYZFVKWRZGNQNU-PMERELPUSA-N

InChI=1S/C31H34N2O3/c1-4-5-15-29(34)33(30(23(2)3)31(35)36-22-25-11-7-6-8-12-25)21-24-16-18-26(19-17-24)28-14-10-9-13-27(28)20-32/h6-14,16-19,23,30H,4-5,15,21-22H2,1-3H3/t30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H34N2O3
Molecular Weight	482.6133
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:55:59 GMT 2023` Edited by `admin` on `Sat Dec 16 19:55:59 GMT 2023`
Record UNII	9NNK657Z3N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-[(2′-Cyano[1,1′-biphenyl]-4-yl)methyl]-N-(1-oxopentyl)-L-valine phenylmethyl ester

Systematic Name

English

L-Valine, N-[(2′-cyano[1,1′-biphenyl]-4-yl)methyl]-N-(1-oxopentyl)-, phenylmethyl ester

Systematic Name

English

Code System Code Type Description

PUBCHEM

46912012

Created by admin on Sat Dec 16 19:55:59 GMT 2023 , Edited by admin on Sat Dec 16 19:55:59 GMT 2023

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CAS

137864-22-3

Created by admin on Sat Dec 16 19:55:59 GMT 2023 , Edited by admin on Sat Dec 16 19:55:59 GMT 2023

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FDA UNII

9NNK657Z3N

Created by admin on Sat Dec 16 19:55:59 GMT 2023 , Edited by admin on Sat Dec 16 19:55:59 GMT 2023

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EPA CompTox

DTXSID80677315

Created by admin on Sat Dec 16 19:55:59 GMT 2023 , Edited by admin on Sat Dec 16 19:55:59 GMT 2023

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