methyl 3-azanyl-2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoate

Systemtic Name: methyl 3-azanyl-2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoate Openeye Name: methyl 3-amino-2-[4,7,10-tris(2-tert-butoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate CAS Name: 3-amino-2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-amino-2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoate Traditional Name: 3-amino-2-[4,7,10-tris(2-tert-butoxy-2-keto-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]propionic acid methyl ester Formula: C30H57N5O8 MolecularWeight: 615.80228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)C(CN)C(=O)OC)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)C(CN)C(=O)OC)CC(=O)OC(C)(C)C

InChI

InChI=1S/C30H57N5O8/c1-28(2,3)41-24(36)20-32-11-13-33(21-25(37)42-29(4,5)6)15-17-35(23(19-31)27(39)40-10)18-16-34(14-12-32)22-26(38)43-30(7,8)9/h23H,11-22,31H2,1-10H3