2-methylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-azanylpropanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 2-methylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-azanylpropanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 2-methylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-aminopropanoyl]amino]thiazol-4-yl]-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-amino-1-oxopropyl]amino]-4-thiazolyl]-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2-methyl-1-oxopropoxy)methyl ester IUPAC Name: 2-methylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-aminopropanoyl]amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(2Z)-2-[2-[[(2S)-2-aminopropanoyl]amino]thiazol-4-yl]-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid isobutyryloxymethyl ester Formula: C21H26N6O8S2 MolecularWeight: 554.59654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCOC(=O)C1=CCSC2N1C(=O)C2NC(=O)C(=NOC)C3=CSC(=N3)NC(=O)C(C)N

Isomeric SMILES

C[C@@H](C(=O)NC1=NC(=CS1)/C(=N/OC)/C(=O)N[C@H]2[C@@H]3N(C2=O)C(=CCS3)C(=O)OCOC(=O)C(C)C)N

InChI

InChI=1S/C21H26N6O8S2/c1-9(2)19(31)34-8-35-20(32)12-5-6-36-18-14(17(30)27(12)18)24-16(29)13(26-33-4)11-7-37-21(23-11)25-15(28)10(3)22/h5,7,9-10,14,18H,6,8,22H2,1-4H3,(H,24,29)(H,23,25,28)/b26-13-/t10-,14+,18+/m0/s1