(6R,7R)-7-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid

Systemtic Name: (6R,7R)-7-[(2-azanyl-2-phenyl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid Openeye Name: (6R,7R)-7-[(2-amino-2-phenyl-acetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid CAS Name: (6R,7R)-7-[(2-amino-1-oxo-2-phenylethyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; [(2R,3S)-3-methyl-2-oxiranyl]phosphonic acid IUPAC Name: (6R,7R)-7-[(2-amino-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid Traditional Name: (6R,7R)-7-[(2-amino-2-phenyl-acetyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; [(2R,3S)-3-methyloxiran-2-yl]phosphonic acid Formula: C19H24N3O8PS MolecularWeight: 485.447921

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(O1)P(=O)(O)O.CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O

Isomeric SMILES

C[C@H]1[C@H](O1)P(=O)(O)O.CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)O

InChI

InChI=1S/C16H17N3O4S.C3H7O4P/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;1-2-3(7-2)8(4,5)6/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);2-3H,1H3,(H2,4,5,6)/t10?,11-,15-;2-,3+/m10/s1