2-[4-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 2-[4-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]-3-phenyl-propanoic acid Openeye Name: 2-[4-(1-benzyl-2-hydroxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-phenyl-propanoic acid CAS Name: 2-[4-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]-3-phenylpropanoic acid IUPAC Name: 2-[4-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]-3-phenylpropanoic acid Traditional Name: 2-[4-(1-benzyl-2-hydroxy-2-keto-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-phenyl-propionic acid Formula: C26H36N4O4 MolecularWeight: 468.58844

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCN(CCN1)C(CC2=CC=CC=C2)C(=O)O)C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CNCCN(CCN(CCN1)C(CC2=CC=CC=C2)C(=O)O)C(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H36N4O4/c31-25(32)23(19-21-7-3-1-4-8-21)29-15-13-27-11-12-28-14-16-30(18-17-29)24(26(33)34)20-22-9-5-2-6-10-22/h1-10,23-24,27-28H,11-20H2,(H,31,32)(H,33,34)