2,2-Dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Properties
- Molecular formula
- C25H28N6O7S3
- Molar mass
- 620.71 g/mol
- Exact mass
- 620.1182 Da
- logP
- 2.30Crippen estimate
- Polar surface area
- 175.4 Ų
- H-bond donors / acceptors
- 2 / 14
- Rotatable bonds
- 9
- Stereocentres
- R, Rin SMILES atom order
- Double bonds
- E, ZE/Z, in SMILES order
Identifiers
CAS number
138514-32-6SMILES
CC1=C(SC=N1)/C=C/C2=C(N3[C@@H]([C@@H](C3=O)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)CInChIKey
AFZFFLVORLEPPO-DLBPBUHXSA-NInChI
InChI=1S/C25H28N6O7S3/c1-12-15(41-10-27-12)7-6-13-8-39-21-17(29-19(32)16(30-36-5)14-9-40-24(26)28-14)20(33)31(21)18(13)22(34)37-11-38-23(35)25(2,3)4/h6-7,9-10,17,21H,8,11H2,1-5H3,(H2,26,28)(H,29,32)/b7-6+,30-16-/t17-,21-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Me 1207E
Work with 2,2-Dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(E)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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