6-azanyl-1-[4,7,10-tris(6-azanylhexanoyl)-1,4,7,10-tetrazacyclododec-1-yl]hexan-1-one

Systemtic Name: 6-azanyl-1-[4,7,10-tris(6-azanylhexanoyl)-1,4,7,10-tetrazacyclododec-1-yl]hexan-1-one Openeye Name: 6-amino-1-[4,7,10-tris(6-aminohexanoyl)-1,4,7,10-tetrazacyclododec-1-yl]hexan-1-one CAS Name: 6-amino-1-[4,7,10-tris(6-amino-1-oxohexyl)-1,4,7,10-tetrazacyclododec-1-yl]-1-hexanone IUPAC Name: 6-amino-1-[4,7,10-tris(6-aminohexanoyl)-1,4,7,10-tetrazacyclododec-1-yl]hexan-1-one Traditional Name: 6-amino-1-[4,7,10-tris(6-aminohexanoyl)-1,4,7,10-tetrazacyclododec-1-yl]hexan-1-one Formula: C32H64N8O4 MolecularWeight: 624.90176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1C(=O)CCCCCN)C(=O)CCCCCN)C(=O)CCCCCN)C(=O)CCCCCN

Isomeric SMILES

C1CN(CCN(CCN(CCN1C(=O)CCCCCN)C(=O)CCCCCN)C(=O)CCCCCN)C(=O)CCCCCN

InChI

InChI=1S/C32H64N8O4/c33-17-9-1-5-13-29(41)37-21-23-38(30(42)14-6-2-10-18-34)25-27-40(32(44)16-8-4-12-20-36)28-26-39(24-22-37)31(43)15-7-3-11-19-35/h1-28,33-36H2