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

Systemtic Name: (6R,7S)-7-[[(5R)-5-azanyl-6-oxidanyl-6-oxidanylidene-hexanoyl]amino]-7-methoxy-8-oxidanylidene-3-(sulfosulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7S)-7-[[(5R)-5-amino-6-hydroxy-6-oxo-hexanoyl]amino]-7-methoxy-8-oxo-3-(sulfosulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7S)-7-[[(5R)-5-amino-6-hydroxy-1,6-dioxohexyl]amino]-7-methoxy-8-oxo-3-[(sulfothio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7S)-7-[[(5R)-5-amino-6-hydroxy-6-oxohexanoyl]amino]-7-methoxy-8-oxo-3-(sulfosulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7S)-7-[[(5R)-5-amino-6-hydroxy-6-keto-hexanoyl]amino]-8-keto-7-methoxy-3-[(sulfothio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H21N3O10S3 MolecularWeight: 499.53634

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(CS2)CSS(=O)(=O)O)C(=O)O)NC(=O)CCCC(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O10S3/c1-28-15(17-9(19)4-2-3-8(16)11(20)21)13(24)18-10(12(22)23)7(5-29-14(15)18)6-30-31(25,26)27/h8,14H,2-6,16H2,1H3,(H,17,19)(H,20,21)(H,22,23)(H,25,26,27)/t8-,14-,15+/m1/s1