(3S,4S,4aS,5R)-6-[[(3S,5S)-5-[[(3-Carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-3,4,4a,5-tetrahydro-3,5-dimethyl-1-oxo-1H-pyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H25N3O9S
Molecular Weight	519.524
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3S,4S,4aS,5R)-6-[[(3S,5S)-5-[[(3-Carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-3,4,4a,5-tetrahydro-3,5-dimethyl-1-oxo-1H-pyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic acid

Structure Search

SMILES

C[C@@H]1[C@@H]2[C@@H]([C@H](C)OC(=O)N2C(C(O)=O)=C1S[C@@H]3CN[C@@H](C3)C(=O)NC4=CC=CC(=C4)C(O)=O)C(O)=O

InChI

InChIKey=GXFHAVHBDSPPAG-RCSJJZFMSA-N

InChI=1S/C23H25N3O9S/c1-9-16-15(21(30)31)10(2)35-23(34)26(16)17(22(32)33)18(9)36-13-7-14(24-8-13)19(27)25-12-5-3-4-11(6-12)20(28)29/h3-6,9-10,13-16,24H,7-8H2,1-2H3,(H,25,27)(H,28,29)(H,30,31)(H,32,33)/t9-,10+,13+,14+,15-,16-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(3S,4S,4aS,5R)-6-[[(3S,5S)-5-[[(3-Carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-3,4,4a,5-tetrahydro-3,5-dimethyl-1-oxo-1H-pyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic acid

Systematic Name

English

Ertapenem Oxazinone Impurity

Preferred Name

English

(4aS,5R)-6-[[(3S,5S)-5-[[(3-Carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-3,4,4a,5-tetrahydro-3,5-dimethyl-1-oxo-1H-pyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic acid

Systematic Name

English

1H-Pyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic acid, 6-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-3,4,4a,5-tetrahydro-3,5-dimethyl-1-oxo-, (4aS,5R)-

Systematic Name

English

1H-Pyrrolo[1,2-c][1,3]oxazine-4,7-dicarboxylic acid, 6-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-3,4,4a,5-tetrahydro-3,5-dimethyl-1-oxo-, (3S,4S,4aS,5R)-

Systematic Name

English

Code System Code Type Description

FDA UNII

339FE3NYB7