3-[4,7,10-tris(3-azanyl-3-oxidanylidene-propyl)-1,4,7,10-tetrazacyclododec-1-yl]propanamide

Systemtic Name: 3-[4,7,10-tris(3-azanyl-3-oxidanylidene-propyl)-1,4,7,10-tetrazacyclododec-1-yl]propanamide Openeye Name: 3-[4,7,10-tris(3-amino-3-oxo-propyl)-1,4,7,10-tetrazacyclododec-1-yl]propanamide CAS Name: 3-[4,7,10-tris(3-amino-3-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propanamide IUPAC Name: 3-[4,7,10-tris(3-amino-3-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propanamide Traditional Name: 3-[4,7,10-tris(3-amino-3-keto-propyl)-1,4,7,10-tetrazacyclododec-1-yl]propionamide Formula: C20H40N8O4 MolecularWeight: 456.5828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CCC(=O)N)CCC(=O)N)CCC(=O)N)CCC(=O)N

Isomeric SMILES

C1CN(CCN(CCN(CCN1CCC(=O)N)CCC(=O)N)CCC(=O)N)CCC(=O)N

InChI

InChI=1S/C20H40N8O4/c21-17(29)1-5-25-9-11-26(6-2-18(22)30)13-15-28(8-4-20(24)32)16-14-27(12-10-25)7-3-19(23)31/h1-16H2,(H2,21,29)(H2,22,30)(H2,23,31)(H2,24,32)