5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-thiazolyl]-1-oxo-2-penten-1-yl]amino]-8-oxo-, (6R,7R)-, compd. with N-(1-methylethyl)-2-propanamine (1:1)
CAS Registry Number®
153012-37-4
CAS Name
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-thiazolyl]-1-oxo-2-penten-1-yl]amino]-8-oxo-, (6R,7R)-, compd. with N-(1-methylethyl)-2-propanamine (1:1)Molecular Formula
C22H27N5O8S2.C6H15NCite this Page
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-thiazolyl]-1-oxo-2-penten-1-yl]amino]-8-oxo-, (6R,7R)-, compd. with N-(1-methylethyl)-2-propanamine (1:1). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=153012-37-4 (retrieved ) (CAS RN: 153012-37-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C22H27N5O8S2.C6H15N/c1-5-6-11(12-9-37-20(24-12)26-21(33)35-22(2,3)4)15(28)25-13-16(29)27-14(18(30)31)10(7-34-19(23)32)8-36-17(13)27;1-5(2)7-6(3)4/h6,9,13,17H,5,7-8H2,1-4H3,(H2,23,32)(H,25,28)(H,30,31)(H,24,26,33);5-7H,1-4H3/b11-6-;/t13-,17-;/m1./s1
InChIKey
InChIKey=QYEZISGUDCJQMM-RWLWEFMLSA-N
SMILES
C(O)(=O)C=1N2[C@@]([C@H](NC(/C(=C\CC)/C=3N=C(NC(OC(C)(C)C)=O)SC3)=O)C2=O)(SCC1COC(N)=O)[H].N(C(C)C)C(C)C
Canonical SMILES
O=C(OCC1=C(C(=O)O)N2C(=O)C(NC(=O)C(=CCC)C=3N=C(SC3)NC(=O)OC(C)(C)C)C2SC1)N.N(C(C)C)C(C)C
Other Names for this Substance
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[(2Z)-2-[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-thiazolyl]-1-oxo-2-penten-1-yl]amino]-8-oxo-, (6R,7R)-, compd. with N-(1-methylethyl)-2-propanamine (1:1)
- 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[[(aminocarbonyl)oxy]methyl]-7-[[2-[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-thiazolyl]-1-oxo-2-pentenyl]amino]-8-oxo-, [6R-[6α,7β(Z)]]-, compd. with N-(1-methylethyl)-2-propanamine (1:1)
- 2-Propanamine, N-(1-methylethyl)-, [6R-[6α,7β(Z)]]-3-[[(aminocarbonyl)oxy]methyl]-7-[[2-[2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-thiazolyl]-1-oxo-2-pentenyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate