Diphenylmethyl (6R,7R)-7-[[(2Z)-5-[(3-methyl-2-buten-1-yl)oxy]-1,5-dioxo-2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-2-penten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H38N4O8S2
Molecular Weight	778.892
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Diphenylmethyl (6R,7R)-7-[[(2Z)-5-[(3-methyl-2-buten-1-yl)oxy]-1,5-dioxo-2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-2-penten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Structure Search

SMILES

[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=C/CC(=O)OCC=C(C)C)\C3=CSC(NC(=O)OCC4=CC=CC=C4)=N3)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChIKey=GIOZKCVDXZBJHC-HYIQRGDBSA-N

InChI=1S/C41H38N4O8S2/c1-26(2)20-22-51-33(46)19-18-30(31-25-55-40(42-31)44-41(50)52-24-27-12-6-3-7-13-27)36(47)43-34-37(48)45-32(21-23-54-38(34)45)39(49)53-35(28-14-8-4-9-15-28)29-16-10-5-11-17-29/h3-18,20-21,25,34-35,38H,19,22-24H2,1-2H3,(H,43,47)(H,42,44,50)/b30-18-/t34-,38-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C41H38N4O8S2
Molecular Weight	778.892
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:52:36 GMT 2023` Edited by `admin` on `Sat Dec 16 19:52:36 GMT 2023`
Record UNII	8R9U6E8Q8S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Diphenylmethyl (6R,7R)-7-[[(2Z)-5-[(3-methyl-2-buten-1-yl)oxy]-1,5-dioxo-2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-2-penten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systematic Name

English

Diphenylmethyl (6R,7R)-7-[[5-[(3-methyl-2-buten-1-yl)oxy]-1,5-dioxo-2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-2-penten-1-yl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[5-[(3-methyl-2-buten-1-yl)oxy]-1,5-dioxo-2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-2-penten-1-yl]amino]-8-oxo-, diphenylmethyl ester, (6R,7R)-

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-5-[(3-methyl-2-butenyl)oxy]-1,5-dioxo-2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-2-pentenyl]amino]-8-oxo-, diphenylmethyl ester, (6R,7R)-

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-5-[(3-methyl-2-buten-1-yl)oxy]-1,5-dioxo-2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-2-penten-1-yl]amino]-8-oxo-, diphenylmethyl ester, (6R,7R)-

Systematic Name

English

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[5-[(3-methyl-2-butenyl)oxy]-1,5-dioxo-2-[2-[[(phenylmethoxy)carbonyl]amino]-4-thiazolyl]-2-pentenyl]amino]-8-oxo-, diphenylmethyl ester, [6R-[6α,7β(Z)]]-

Systematic Name

English

Code System Code Type Description

CAS

174761-17-2

Created by admin on Sat Dec 16 19:52:37 GMT 2023 , Edited by admin on Sat Dec 16 19:52:37 GMT 2023

PRIMARY

FDA UNII

8R9U6E8Q8S

Created by admin on Sat Dec 16 19:52:37 GMT 2023 , Edited by admin on Sat Dec 16 19:52:37 GMT 2023

PRIMARY

CAS

414866-39-0

Created by admin on Sat Dec 16 19:52:37 GMT 2023 , Edited by admin on Sat Dec 16 19:52:37 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

PUBCHEM

131875051

Created by admin on Sat Dec 16 19:52:37 GMT 2023 , Edited by admin on Sat Dec 16 19:52:37 GMT 2023

PRIMARY