N-[(1R)-1-phenylethyl]-2-[4,7,10-tris[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanamide

Systemtic Name: N-[(1R)-1-phenylethyl]-2-[4,7,10-tris[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanamide Openeye Name: N-[(1R)-1-phenylethyl]-2-[4,7,10-tris[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide CAS Name: N-[(1R)-1-phenylethyl]-2-[4,7,10-tris[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide IUPAC Name: N-[(1R)-1-phenylethyl]-2-[4,7,10-tris[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide Traditional Name: N-[(1R)-1-phenylethyl]-2-[4,7,10-tris[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide Formula: C48H64N8O4 MolecularWeight: 817.07296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)NC(C)C3=CC=CC=C3)CC(=O)NC(C)C4=CC=CC=C4)CC(=O)NC(C)C5=CC=CC=C5

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)N[C@H](C)C3=CC=CC=C3)CC(=O)N[C@H](C)C4=CC=CC=C4)CC(=O)N[C@H](C)C5=CC=CC=C5

InChI

InChI=1S/C48H64N8O4/c1-37(41-17-9-5-10-18-41)49-45(57)33-53-25-27-54(34-46(58)50-38(2)42-19-11-6-12-20-42)29-31-56(36-48(60)52-40(4)44-23-15-8-16-24-44)32-30-55(28-26-53)35-47(59)51-39(3)43-21-13-7-14-22-43/h5-24,37-40H,25-36H2,1-4H3,(H,49,57)(H,50,58)(H,51,59)(H,52,60)/t37-,38-,39-,40-/m1/s1