(2S)-2-[[(6R,7R)-3-methyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]carbonylamino]pentanedioate

Systemtic Name: (2S)-2-[[(6R,7R)-3-methyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]carbonylamino]pentanedioate Openeye Name: (2S)-2-[[(6R,7R)-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[(6R,7R)-3-methyl-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]-oxomethyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(6R,7R)-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[(6R,7R)-8-keto-3-methyl-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]amino]glutarate Formula: C21H21N3O7S-2 MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)NC(CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C21H23N3O7S/c1-11-10-32-20-16(23-14(25)9-12-5-3-2-4-6-12)19(29)24(20)17(11)18(28)22-13(21(30)31)7-8-15(26)27/h2-6,13,16,20H,7-10H2,1H3,(H,22,28)(H,23,25)(H,26,27)(H,30,31)/p-2/t13-,16+,20+/m0/s1