methyl 2,6-bis[(2-phenyl-1,3-thiazolidin-3-ium-4-yl)carbonylamino]hexanoate dichloride

Systemtic Name: methyl 2,6-bis[(2-phenyl-1,3-thiazolidin-3-ium-4-yl)carbonylamino]hexanoate dichloride Openeye Name: methyl 2,6-bis[(2-phenylthiazolidin-3-ium-4-carbonyl)amino]hexanoate dichloride CAS Name: 2,6-bis[[oxo-(2-phenyl-4-thiazolidin-3-iumyl)methyl]amino]hexanoic acid methyl ester dichloride IUPAC Name: methyl 2,6-bis[(2-phenyl-1,3-thiazolidin-3-ium-4-carbonyl)amino]hexanoate dichloride Traditional Name: 2,6-bis[(2-phenylthiazolidin-3-ium-4-carbonyl)amino]hexanoic acid methyl ester dichloride Formula: C27H36Cl2N4O4S2 MolecularWeight: 615.63514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)C1CSC([NH2+]1)C2=CC=CC=C2)NC(=O)C3CSC([NH2+]3)C4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

COC(=O)C(CCCCNC(=O)C1CSC([NH2+]1)C2=CC=CC=C2)NC(=O)C3CSC([NH2+]3)C4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C27H34N4O4S2.2ClH/c1-35-27(34)20(29-24(33)22-17-37-26(31-22)19-12-6-3-7-13-19)14-8-9-15-28-23(32)21-16-36-25(30-21)18-10-4-2-5-11-18;;/h2-7,10-13,20-22,25-26,30-31H,8-9,14-17H2,1H3,(H,28,32)(H,29,33);2*1H