6-azanyl-1-[1,4,12-tris(6-azanylhexanoyl)-1,4,8,12-tetrazacyclopentadec-8-yl]hexan-1-one

Systemtic Name: 6-azanyl-1-[1,4,12-tris(6-azanylhexanoyl)-1,4,8,12-tetrazacyclopentadec-8-yl]hexan-1-one Openeye Name: 6-amino-1-[1,4,12-tris(6-aminohexanoyl)-1,4,8,12-tetrazacyclopentadec-8-yl]hexan-1-one CAS Name: 6-amino-1-[1,4,12-tris(6-amino-1-oxohexyl)-1,4,8,12-tetrazacyclopentadec-8-yl]-1-hexanone IUPAC Name: 6-amino-1-[1,4,12-tris(6-aminohexanoyl)-1,4,8,12-tetrazacyclopentadec-8-yl]hexan-1-one Traditional Name: 6-amino-1-[1,4,12-tris(6-aminohexanoyl)-1,4,8,12-tetrazacyclopentadec-8-yl]hexan-1-one Formula: C35H70N8O4 MolecularWeight: 666.9815

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H70N8O4/c36-20-9-1-5-16-32(44)40-24-13-25-41(33(45)17-6-2-10-21-37)27-15-29-43(35(47)19-8-4-12-23-39)31-30-42(28-14-26-40)34(46)18-7-3-11-22-38/h1-31,36-39H2