(3S,6S,9R,12S,15S,23S)-9-benzyl-6-(3-carbamimidamidopropyl)-15-(2S)-2-acetamidohexanamido-12-(1H-imidazol-4-yl)methyl-3-(1H-indol-3-yl)methyl-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxylic acid,189691-06-3-Amadis Chemical

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[CAS No.189691-06-3] A938560 (3S,6S,9R,12S,15S,23S)-9-benzyl-6-(3-carbamimidamidopropyl)-15-(2S)-2-acetamidohexanamido-12-(1H-imidazol-4-yl)methyl-3-(1H-indol-3-yl)methyl-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxylic acid 97%

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Catalog No.: A938560

Cas No.: 189691-06-3

Molecular Formula: C₅₀H₆₈N₁₄O₁₀

Molecular Weight: 1,025.16

MDL NO: MFCD09954110

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Product Details [189691-06-3]

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Storage: Store in 2-8°C for long term (months)

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Pubchem ID: 165712194

Smiles: CCCC[C@H](NC(C)=O)C(N[C@H]1CC(NCCCC[C@H](NC([C@@H](NC([C@@H](NC([C@H](NC([C@@H](NC1=O)CC2=CN=CN2)=O)CC3=CC=CC=C3)=O)CCCNC(N)=N)=O)CC4=CNC5=CC=CC=C45)=O)C(O)=O)=O)=O

InchiKey: FFHBJDQSGDNCIV-MFVUMRCOSA-N

Inchi: InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1

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