Doripenem di(p-nitrobenzyl) ester

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H34N6O12S2
Molecular Weight	734.754
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Doripenem di(p-nitrobenzyl) ester

Structure Search

SMILES

C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@H]3C[C@@H](CNS(N)(=O)=O)N(C3)C(=O)OCC4=CC=C(C=C4)[N+]([O-])=O)=C(N2C1=O)C(=O)OCC5=CC=C(C=C5)[N+]([O-])=O

InChI

InChIKey=NFGMWAKGHQALBE-KVGGNSOTSA-N

InChI=1S/C30H34N6O12S2/c1-16-25-24(17(2)37)28(38)34(25)26(29(39)47-14-18-3-7-20(8-4-18)35(41)42)27(16)49-23-11-22(12-32-50(31,45)46)33(13-23)30(40)48-15-19-5-9-21(10-6-19)36(43)44/h3-10,16-17,22-25,32,37H,11-15H2,1-2H3,(H2,31,45,46)/t16-,17-,22+,23+,24-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H34N6O12S2
Molecular Weight	734.754
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:20:55 GMT 2025` Edited by `admin` on `Wed Apr 02 17:20:55 GMT 2025`
Record UNII	QNG27Y4NQH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Doripenem Impurity 1

Preferred Name

English

Doripenem di(p-nitrobenzyl) ester

Systematic Name

English

1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[(aminosulfonyl)amino]methyl]-1-[[(4-nitrophenyl)methoxy]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, (4-nitrophenyl)methyl ester, (4R,5S,6S)-

Systematic Name

English

(4-Nitrophenyl)methyl (4R,5S,6S)-3-[[(3S,5S)-5-[[(aminosulfonyl)amino]methyl]-1-[[(4-nitrophenyl)methoxy]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systematic Name

English

Code System Code Type Description

FDA UNII

QNG27Y4NQH

Created by admin on Wed Apr 02 17:20:55 GMT 2025 , Edited by admin on Wed Apr 02 17:20:55 GMT 2025

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CAS

491878-07-0

Created by admin on Wed Apr 02 17:20:55 GMT 2025 , Edited by admin on Wed Apr 02 17:20:55 GMT 2025

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PUBCHEM

11456892

Created by admin on Wed Apr 02 17:20:55 GMT 2025 , Edited by admin on Wed Apr 02 17:20:55 GMT 2025

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