(2S)-2-(phenylmethoxycarbonylamino)-3-[4,7,10-tris[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid

Systemtic Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[4,7,10-tris[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-[4,7,10-tris(tert-butoxycarbonyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid CAS Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[4,7,10-tris[(2-methylpropan-2-yl)oxy-oxomethyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid IUPAC Name: (2S)-2-(phenylmethoxycarbonylamino)-3-[4,7,10-tris[(2-methylpropan-2-yl)oxycarbonyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[4,7,10-tris(tert-butoxycarbonyl)-1,4,7,10-tetrazacyclododec-1-yl]propionic acid Formula: C34H55N5O10 MolecularWeight: 693.828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CCN(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CCN(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C[C@@H](C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C34H55N5O10/c1-32(2,3)47-29(43)37-17-15-36(23-26(27(40)41)35-28(42)46-24-25-13-11-10-12-14-25)16-18-38(30(44)48-33(4,5)6)20-22-39(21-19-37)31(45)49-34(7,8)9/h10-14,26H,15-24H2,1-9H3,(H,35,42)(H,40,41)/t26-/m0/s1