Synonyms: [125I]KP14
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2D Structure
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SMILES / InChI / InChIKey
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Canonical SMILES
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OCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)Cc1ccccc1)CCCN=C(N)N)CC(C)C)Cc1ccccc1)NC(=O)C(NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C1CCCN1C(=O)C(NC(=O)C(CC(=O)O)N)CC(C)C)CC(=O)N)Cc1ccc(cc1)O)CC(=O)N)CC(=O)N
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Isomeric SMILES
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CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
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InChI
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InChI=1S/C82H111N21O22/c1-42(2)29-53(72(115)93-52(21-13-27-89-82(87)88)71(114)101-61(81(124)125)33-45-17-9-6-10-18-45)92-67(109)40-91-70(113)54(31-44-15-7-5-8-16-44)94-78(121)62(41-104)102-77(120)58(37-65(85)107)98-74(117)56(34-47-39-90-51-20-12-11-19-49(47)51)96-75(118)57(36-64(84)106)97-73(116)55(32-46-23-25-48(105)26-24-46)95-76(119)59(38-66(86)108)99-79(122)63-22-14-28-103(63)80(123)60(30-43(3)4)100-69(112)50(83)35-68(110)111/h5-12,15-20,23-26,39,42-43,50,52-63,90,104-105H,13-14,21-22,27-38,40-41,83H2,1-4H3,(H2,84,106)(H2,85,107)(H2,86,108)(H,91,113)(H,92,109)(H,93,115)(H,94,121)(H,95,119)(H,96,118)(H,97,116)(H,98,117)(H,99,122)(H,100,112)(H,101,114)(H,102,120)(H,110,111)(H,124,125)(H4,87,88,89)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1
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InChI Key
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SWQFNQZATASWSZ-HCHFQKEFSA-N
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