2-(2-nitrooxyethoxy)ethyl 6-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: 2-(2-nitrooxyethoxy)ethyl 6-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: 2-(2-nitrooxyethoxy)ethyl 6-[[(2S)-2-amino-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-[[(2S)-2-amino-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2-(2-nitrooxyethoxy)ethyl ester IUPAC Name: 2-(2-nitrooxyethoxy)ethyl 6-[[(2S)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-[[(2S)-2-amino-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2-(2-nitrooxyethoxy)ethyl ester Formula: C20H26N4O8S MolecularWeight: 482.50744

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)OCCOCCO[N+](=O)[O-])C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)[C@H](C3=CC=CC=C3)N)C(=O)OCCOCCO[N+](=O)[O-])C

InChI

InChI=1S/C20H26N4O8S/c1-20(2)15(19(27)31-10-8-30-9-11-32-24(28)29)23-17(26)14(18(23)33-20)22-16(25)13(21)12-6-4-3-5-7-12/h3-7,13-15,18H,8-11,21H2,1-2H3,(H,22,25)/t13-,14?,15?,18?/m0/s1