2-[4,8,11-tris(2-azanyl-2-oxidanylidene-ethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanamide

Systemtic Name: 2-[4,8,11-tris(2-azanyl-2-oxidanylidene-ethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]ethanamide Openeye Name: 2-[4,8,11-tris(2-amino-2-oxo-ethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide CAS Name: 2-[4,8,11-tris(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide IUPAC Name: 2-[4,8,11-tris(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide Traditional Name: 2-[4,8,11-tris(2-amino-2-keto-ethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide Formula: C18H36N8O4 MolecularWeight: 428.52964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36N8O4/c19-15(27)11-23-3-1-4-24(12-16(20)28)8-10-26(14-18(22)30)6-2-5-25(9-7-23)13-17(21)29/h1-14H2,(H2,19,27)(H2,20,28)(H2,21,29)(H2,22,30)