U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

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

Approval Year

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