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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H30N4O9S
Molecular Weight	610.635
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-[(4-Nitrophenyl)methyl] (4R,5S,6S)-3-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-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(S[C@@H]3CN[C@@H](C3)C(=O)NC4=CC(=CC=C4)C(O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(=O)OCC5=CC=C(C=C5)[N+]([O-])=O

InChI

InChIKey=UAUYBAKBHXQBQN-QICIMEQWSA-N

InChI=1S/C29H30N4O9S/c1-14-23-22(15(2)34)27(36)32(23)24(29(39)42-13-16-6-8-19(9-7-16)33(40)41)25(14)43-20-11-21(30-12-20)26(35)31-18-5-3-4-17(10-18)28(37)38/h3-10,14-15,20-23,30,34H,11-13H2,1-2H3,(H,31,35)(H,37,38)/t14-,15-,20+,21+,22-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H30N4O9S
Molecular Weight	610.635
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 `Sat Dec 16 20:08:22 GMT 2023` Edited by `admin` on `Sat Dec 16 20:08:22 GMT 2023`
Record UNII	8XS37E5PR6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-[(4-Nitrophenyl)methyl] (4R,5S,6S)-3-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]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

2-[(4-Nitrophenyl)methyl] (4R,5S,6S)-3-[[(3S,5S)-5-[[(3-Carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic Acid Ester

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

11541891

Created by admin on Sat Dec 16 20:08:22 GMT 2023 , Edited by admin on Sat Dec 16 20:08:22 GMT 2023

PRIMARY

FDA UNII

8XS37E5PR6

Created by admin on Sat Dec 16 20:08:22 GMT 2023 , Edited by admin on Sat Dec 16 20:08:22 GMT 2023

PRIMARY

CAS

503607-50-9

Created by admin on Sat Dec 16 20:08:22 GMT 2023 , Edited by admin on Sat Dec 16 20:08:22 GMT 2023

PRIMARY