Ertapenem Dimer I

Details

Stereochemistry	EPIMERIC
Molecular Formula	C44H50N6O14S2
Molecular Weight	951.03
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12[C@@H](C)C(S[C@H]3C[C@H](N(C3)C(=O)[C@H]([C@@H](C)O)[C@]4([H])N=C(C(S[C@@H]5CN[C@@H](C5)C(=O)NC6=CC(=CC=C6)C(O)=O)[C@@H]4C)C(O)=O)C(=O)NC7=CC(=CC=C7)C(O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O

InChI

InChIKey=KFMXBHFRIBLSQJ-KXGFPTOCSA-N

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

HIDE SMILES / InChI

Molecular Formula	C44H50N6O14S2
Molecular Weight	951.03
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	12 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:49:02 UTC 2023` Edited by `admin` on `Sat Dec 16 19:49:02 UTC 2023`
Record UNII	BF98MVL6BQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ertapenem Dimer I

Common Name

English

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

Systematic Name

English

(4R,5S,6S)-3-[[(3S,5S)-1-[(2S,3R)-2-[(2S,3R)-5-Carboxy-4-[[(3S,5S)-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-3,4-dihydro-3-methyl-2H-pyrrol-2-yl]-3-hydroxy-1-oxobutyl]-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hy

Systematic Name

English

Code System Code Type Description

CAS

1199797-41-5

Created by admin on Sat Dec 16 19:49:02 UTC 2023 , Edited by admin on Sat Dec 16 19:49:02 UTC 2023

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FDA UNII

BF98MVL6BQ

Created by admin on Sat Dec 16 19:49:02 UTC 2023 , Edited by admin on Sat Dec 16 19:49:02 UTC 2023

PRIMARY

PUBCHEM

71316414

Created by admin on Sat Dec 16 19:49:02 UTC 2023 , Edited by admin on Sat Dec 16 19:49:02 UTC 2023

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