disodium 4-[3-(carboxymethyl)-2-oxidanylidene-1-phenethyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-4-oxidanylidene-butanoate

Systemtic Name: disodium 4-[3-(carboxymethyl)-2-oxidanylidene-1-phenethyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-4-oxidanylidene-butanoate Openeye Name: disodium 4-[3-(carboxymethyl)-2-oxo-1-phenethyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-4-oxo-butanoate CAS Name: disodium 4-[3-(carboxymethyl)-2-oxo-1-phenethyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-4-oxobutanoate IUPAC Name: disodium 4-[3-(carboxymethyl)-2-oxo-1-phenethyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-4-oxobutanoate Traditional Name: disodium 4-[3-(carboxymethyl)-2-keto-1-phenethyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-4-keto-butyrate Formula: C42H50N4Na2O12S2 MolecularWeight: 912.97554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12N(C(=O)C(S2)CC(=O)O)CCC3=CC=CC=C3)C(=O)CCC(=O)[O-].C1CN(CCC12N(C(=O)C(S2)CC(=O)O)CCC3=CC=CC=C3)C(=O)CCC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1CN(CCC12N(C(=O)C(S2)CC(=O)O)CCC3=CC=CC=C3)C(=O)CCC(=O)[O-].C1CN(CCC12N(C(=O)C(S2)CC(=O)O)CCC3=CC=CC=C3)C(=O)CCC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/2C21H26N2O6S.2Na/c2*24-17(6-7-18(25)26)22-12-9-21(10-13-22)23(11-8-15-4-2-1-3-5-15)20(29)16(30-21)14-19(27)28;;/h2*1-5,16H,6-14H2,(H,25,26)(H,27,28);;/q;;2*+1/p-2