sodium 1-(2-azanylethanoylamino)-6-indol-1-yl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 1-(2-azanylethanoylamino)-6-indol-1-yl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 1-[(2-aminoacetyl)amino]-6-indol-1-yl-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 1-[(2-amino-1-oxoethyl)amino]-6-(1-indolyl)-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 1-[(2-aminoacetyl)amino]-6-indol-1-yl-3,3-dimethyl-7-oxo-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 1-(glycylamino)-6-indol-1-yl-7-keto-3,3-dimethyl-4-thia-1-azoniabicyclo[3.2.0]heptane-2-carboxylate Formula: C18H20N4NaO4S+ MolecularWeight: 411.43057

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C([N+]2(C(S1)C(C2=O)N3C=CC4=CC=CC=C43)NC(=O)CN)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C([N+]2(C(S1)C(C2=O)N3C=CC4=CC=CC=C43)NC(=O)CN)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C18H20N4O4S.Na/c1-18(2)14(17(25)26)22(20-12(23)9-19)15(24)13(16(22)27-18)21-8-7-10-5-3-4-6-11(10)21;/h3-8,13-14,16H,9,19H2,1-2H3,(H-,20,23,25,26);/q;+1