3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazol-5-yl]carbonylamino]-2-[6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]hexanoylamino]propanoic acid

Systemtic Name: 3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazol-5-yl]carbonylamino]-2-[6-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoylamino]hexanoylamino]propanoic acid Openeye Name: 3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]-2-[6-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]hexanoylamino]propanoic acid CAS Name: 3-[[[1-[3-(1H-imidazol-2-ylamino)propyl]-5-indazolyl]-oxomethyl]amino]-2-[[1-oxo-6-[[1-oxo-2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethyl]amino]hexyl]amino]propanoic acid IUPAC Name: 3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]-2-[6-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]hexanoylamino]propanoic acid Traditional Name: 3-[[1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carbonyl]amino]-2-[6-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]hexanoylamino]propionic acid Formula: C39H58N12O11 MolecularWeight: 870.95162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN(CCN1CC(=O)NCCCCCC(=O)NC(CNC(=O)C2=CC3=C(C=C2)N(N=C3)CCCNC4=NC=CN4)C(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1CN(CCN(CCN(CCN1CC(=O)NCCCCCC(=O)NC(CNC(=O)C2=CC3=C(C=C2)N(N=C3)CCCNC4=NC=CN4)C(=O)O)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C39H58N12O11/c52-32(46-30(38(61)62)23-44-37(60)28-6-7-31-29(21-28)22-45-51(31)12-4-9-41-39-42-10-11-43-39)5-2-1-3-8-40-33(53)24-47-13-15-48(25-34(54)55)17-19-50(27-36(58)59)20-18-49(16-14-47)26-35(56)57/h6-7,10-11,21-22,30H,1-5,8-9,12-20,23-27H2,(H,40,53)(H,44,60)(H,46,52)(H,54,55)(H,56,57)(H,58,59)(H,61,62)(H2,41,42,43)