2-[[9-azanyl-12-(carboxymethylcarbamoyl)-6,10-bis(oxidanylidene)-1,2-dithia-5,11-diazacyclotridec-4-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[9-azanyl-12-(carboxymethylcarbamoyl)-6,10-bis(oxidanylidene)-1,2-dithia-5,11-diazacyclotridec-4-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[9-amino-12-(carboxymethylcarbamoyl)-6,10-dioxo-1,2-dithia-5,11-diazacyclotridecane-4-carbonyl]amino]acetic acid CAS Name: 2-[[[9-amino-12-[(carboxymethylamino)-oxomethyl]-6,10-dioxo-1,2-dithia-5,11-diazacyclotridec-4-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[9-amino-12-(carboxymethylcarbamoyl)-6,10-dioxo-1,2-dithia-5,11-diazacyclotridecane-4-carbonyl]amino]acetic acid Traditional Name: 2-[[9-amino-12-(carboxymethylcarbamoyl)-6,10-diketo-1,2-dithia-5,11-diazacyclotridecane-4-carbonyl]amino]acetic acid Formula: C15H23N5O8S2 MolecularWeight: 465.50182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC(CSSCC(NC(=O)C1N)C(=O)NCC(=O)O)C(=O)NCC(=O)O

Isomeric SMILES

C1CC(=O)NC(CSSCC(NC(=O)C1N)C(=O)NCC(=O)O)C(=O)NCC(=O)O

InChI

InChI=1S/C15H23N5O8S2/c16-7-1-2-10(21)19-8(14(27)17-3-11(22)23)5-29-30-6-9(20-13(7)26)15(28)18-4-12(24)25/h7-9H,1-6,16H2,(H,17,27)(H,18,28)(H,19,21)(H,20,26)(H,22,23)(H,24,25)