(6S,7S)-3-(aminocarbonyloxymethyl)-7-methoxy-8-oxidanylidene-7-[(6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6S,7S)-3-(aminocarbonyloxymethyl)-7-methoxy-8-oxidanylidene-7-[(6-oxidanyl-6-oxidanylidene-hexanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6S,7S)-3-(carbamoyloxymethyl)-7-[(6-hydroxy-6-oxo-hexanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6S,7S)-3-(carbamoyloxymethyl)-7-[(6-hydroxy-1,6-dioxohexyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6S,7S)-3-(carbamoyloxymethyl)-7-[(6-hydroxy-6-oxohexanoyl)amino]-7-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6S,7S)-3-(carbamoyloxymethyl)-7-[(6-hydroxy-6-keto-hexanoyl)amino]-8-keto-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H21N3O9S MolecularWeight: 431.41764

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CCCCC(=O)O

Isomeric SMILES

CO[C@@]1([C@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CCCCC(=O)O

InChI

InChI=1S/C16H21N3O9S/c1-27-16(18-9(20)4-2-3-5-10(21)22)13(25)19-11(12(23)24)8(6-28-15(17)26)7-29-14(16)19/h14H,2-7H2,1H3,(H2,17,26)(H,18,20)(H,21,22)(H,23,24)/t14-,16-/m0/s1