3-[4,8,11-tris(3-azanyl-3-oxidanylidene-propyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanamide

Systemtic Name: 3-[4,8,11-tris(3-azanyl-3-oxidanylidene-propyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanamide Openeye Name: 3-[4,8,11-tris(3-amino-3-oxo-propyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanamide CAS Name: 3-[4,8,11-tris(3-amino-3-oxopropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanamide IUPAC Name: 3-[4,8,11-tris(3-amino-3-oxopropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanamide Traditional Name: 3-[4,8,11-tris(3-amino-3-keto-propyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propionamide Formula: C22H44N8O4 MolecularWeight: 484.63596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCCN(CCN(C1)CCC(=O)N)CCC(=O)N)CCC(=O)N)CCC(=O)N

Isomeric SMILES

C1CN(CCN(CCCN(CCN(C1)CCC(=O)N)CCC(=O)N)CCC(=O)N)CCC(=O)N

InChI

InChI=1S/C22H44N8O4/c23-19(31)3-11-27-7-1-8-28(12-4-20(24)32)16-18-30(14-6-22(26)34)10-2-9-29(17-15-27)13-5-21(25)33/h1-18H2,(H2,23,31)(H2,24,32)(H2,25,33)(H2,26,34)