6-azanyl-1-[4,8,11-tris(6-azanylhexanoyl)-1,4,8,11-tetrazacyclotetradec-1-yl]hexan-1-one

Systemtic Name: 6-azanyl-1-[4,8,11-tris(6-azanylhexanoyl)-1,4,8,11-tetrazacyclotetradec-1-yl]hexan-1-one Openeye Name: 6-amino-1-[4,8,11-tris(6-aminohexanoyl)-1,4,8,11-tetrazacyclotetradec-1-yl]hexan-1-one CAS Name: 6-amino-1-[4,8,11-tris(6-amino-1-oxohexyl)-1,4,8,11-tetrazacyclotetradec-1-yl]-1-hexanone IUPAC Name: 6-amino-1-[4,8,11-tris(6-aminohexanoyl)-1,4,8,11-tetrazacyclotetradec-1-yl]hexan-1-one Traditional Name: 6-amino-1-[4,8,11-tris(6-aminohexanoyl)-1,4,8,11-tetrazacyclotetradec-1-yl]hexan-1-one Formula: C34H68N8O4 MolecularWeight: 652.95492

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCCN(CCN(C1)C(=O)CCCCCN)C(=O)CCCCCN)C(=O)CCCCCN)C(=O)CCCCCN

Isomeric SMILES

C1CN(CCN(CCCN(CCN(C1)C(=O)CCCCCN)C(=O)CCCCCN)C(=O)CCCCCN)C(=O)CCCCCN

InChI

InChI=1S/C34H68N8O4/c35-19-9-1-5-15-31(43)39-23-13-24-41(33(45)17-7-3-11-21-37)29-30-42(34(46)18-8-4-12-22-38)26-14-25-40(28-27-39)32(44)16-6-2-10-20-36/h1-30,35-38H2