(4-Nitrophenyl)methyl (4S,5R,6S)-3-[(diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H27N2O10P
Molecular Weight	594.5058
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (4-Nitrophenyl)methyl (4S,5R,6S)-3-[(diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Structure Search

SMILES

[H][C@]12[C@H](C)C(OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(=O)OCC5=CC=C(C=C5)[N+]([O-])=O

InChI

InChIKey=STULDTCHQXVRIX-NUQURWJTSA-N

InChI=1S/C29H27N2O10P/c1-18-25-24(19(2)32)28(33)30(25)26(29(34)38-17-20-13-15-21(16-14-20)31(35)36)27(18)41-42(37,39-22-9-5-3-6-10-22)40-23-11-7-4-8-12-23/h3-16,18-19,24-25,32H,17H2,1-2H3/t18-,19+,24+,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H27N2O10P
Molecular Weight	594.5058
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:56:07 GMT 2023` Edited by `admin` on `Sat Dec 16 19:56:07 GMT 2023`
Record UNII	6P38GC95JV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(4-Nitrophenyl)methyl (4S,5R,6S)-3-[(diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systematic Name

English

1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(diphenoxyphosphinyl)oxy]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4-nitrophenyl)methyl ester, (4S,5R,6S)-

Systematic Name

English

1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[(diphenoxyphosphinyl)oxy]-6-(1-hydroxyethyl)-4-methyl-7-oxo-, (4-nitrophenyl)methyl ester, [4S-[4α,5α,6α(S*)]]-

Systematic Name

English

Code System Code Type Description

CAS

189188-38-3

Created by admin on Sat Dec 16 19:56:07 GMT 2023 , Edited by admin on Sat Dec 16 19:56:07 GMT 2023

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FDA UNII

6P38GC95JV

Created by admin on Sat Dec 16 19:56:07 GMT 2023 , Edited by admin on Sat Dec 16 19:56:07 GMT 2023

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PUBCHEM

13853772

Created by admin on Sat Dec 16 19:56:07 GMT 2023 , Edited by admin on Sat Dec 16 19:56:07 GMT 2023

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