N-(3R,6S,9S,15S,20aS)-3-(cyclohexylmethyl)-9-{3-(diaminomethylidene)aminopropyl}-6-(1H-indol-3-yl)methyl-1,4,7,10,16-pentaoxo-icosahydropyrrolo1,2-a1,4,7,10,13-pentaazacyclooctadecan-15-yl-3-phenylpropanamide,514814-49-4-Amadis Chemical

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[CAS No.514814-49-4] A941797 N-(3R,6S,9S,15S,20aS)-3-(cyclohexylmethyl)-9-{3-(diaminomethylidene)aminopropyl}-6-(1H-indol-3-yl)methyl-1,4,7,10,16-pentaoxo-icosahydropyrrolo1,2-a1,4,7,10,13-pentaazacyclooctadecan-15-yl-3-phenylpropanamide 97%

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Catalog No.: A941797

Cas No.: 514814-49-4

Molecular Formula: C₄₅H₆₂N₁₀O₆

Molecular Weight: 839.04

MDL NO: MFCD31657373

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Product Details [514814-49-4]

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

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Pubchem ID: 137949871

Smiles: O=C1N[C@H](CC2CCCCC2)C(=O)N[C@@H](CC2C3=C(C=CC=C3)NC=2)C(=O)N[C@@H](CCC/N=C(/N)\N)C(=O)NCCC[C@H](NC(=O)CCC2=CC=CC=C2)C(=O)N2[C@H]1CCC2

InchiKey: VATFHFJULBPYLM-ILOBPARPSA-N

Inchi: InChI=1S/C45H62N10O6/c46-45(47)49-24-9-18-34-40(57)48-23-10-19-35(51-39(56)22-21-29-12-3-1-4-13-29)44(61)55-25-11-20-38(55)43(60)54-36(26-30-14-5-2-6-15-30)41(58)53-37(42(59)52-34)27-31-28-50-33-17-8-7-16-32(31)33/h1,3-4,7-8,12-13,16-17,28,30,34-38,50H,2,5-6,9-11,14-15,18-27H2,(H,48,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,46,47,49)/t34-,35-,36+,37-,38-/m0/s1

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