Ertapenem sodium dimer VIII

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H50N6O14S2
Molecular Weight	951.03
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ertapenem sodium dimer VIII

Structure Search

SMILES

[H][C@]12[C@@H](C)C(S[C@H]3C[C@H](N(C3)C(=O)C4=CC(NC(=O)[C@@H]5C[C@@H](CN5)SC6=C(N[C@@]([H])([C@@H]([C@@H](C)O)C(O)=O)[C@H]6C)C(O)=O)=CC=C4)C(=O)NC7=CC(=CC=C7)C(O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O

InChI

InChIKey=LXFXKMHIFALQMI-ZVUXQWQQSA-N

InChI=1S/C44H50N6O14S2/c1-17-31(29(19(3)51)42(59)60)48-32(43(61)62)35(17)65-25-13-27(45-15-25)37(53)46-23-9-5-7-21(11-23)39(55)49-16-26(14-28(49)38(54)47-24-10-6-8-22(12-24)41(57)58)66-36-18(2)33-30(20(4)52)40(56)50(33)34(36)44(63)64/h5-12,17-20,25-31,33,45,48,51-52H,13-16H2,1-4H3,(H,46,53)(H,47,54)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/t17-,18-,19-,20-,25+,26+,27+,28+,29-,30-,31-,33-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C44H50N6O14S2
Molecular Weight	951.03
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:13:20 UTC 2023` Edited by `admin` on `Sat Dec 16 20:13:20 UTC 2023`
Record UNII	5DLD9D8NGD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ertapenem sodium dimer VIII

Common Name

English

1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-1-[3-[[[(2S,4S)-4-[[(4R,5S)-2-carboxy-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4,5-dihydro-4-methyl-1H-pyrrol-3-yl]thio]-2-pyrrolidinyl]carbonyl]amino]benzoyl]-5-[[(3-carboxyphenyl)amino]carbonyl]

Systematic Name

English

(4R,5S,6S)-3-[[(3S,5S)-1-[3-[[[(2S,4S)-4-[[(4R,5S)-2-Carboxy-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4,5-dihydro-4-methyl-1H-pyrrol-3-yl]thio]-2-pyrrolidinyl]carbonyl]amino]benzoyl]-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydrox

Systematic Name

English

Code System Code Type Description

CAS

2602483-58-7

Created by admin on Sat Dec 16 20:13:20 UTC 2023 , Edited by admin on Sat Dec 16 20:13:20 UTC 2023

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FDA UNII

5DLD9D8NGD

Created by admin on Sat Dec 16 20:13:20 UTC 2023 , Edited by admin on Sat Dec 16 20:13:20 UTC 2023

PRIMARY