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| Catalog Number | CI-BP-0166 |
| Product Name | Octapeptide-2 |
| CAS | 1374396-34-5 |
| Synonyms | L-Methionine, L-threonyl-L-alanyl-L-α-glutamyl-L-α-glutamyl-L-histidyl-L-α-glutamyl-L-valyl- |
| IUPAC Name | (4S)-4-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-5-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid |
| Molecular Weight | 945.01 g/mol |
| Molecular Formula | C38H60N10O16S |
| InChI | InChI=1S/C38H60N10O16S/c1-17(2)30(37(62)46-24(38(63)64)12-13-65-5)48-34(59)23(8-11-28(54)55)45-35(60)25(14-20-15-40-16-41-20)47-33(58)22(7-10-27(52)53)44-32(57)21(6-9-26(50)51)43-31(56)18(3)42-36(61)29(39)19(4)49/h15-19,21-25,29-30,49H,6-14,39H2,1-5H3,(H,40,41)(H,42,61)(H,43,56)(H,44,57)(H,45,60)(H,46,62)(H,47,58)(H,48,59)(H,50,51)(H,52,53)(H,54,55)(H,63,64)/t18-,19+,21-,22-,23-,24-,25-,29-,30-/m0/s1 |
| InChI Key | IZUXSDLDQJZDFW-BNJNSGOPSA-N |
| Boiling Point | 1566.9±65.0 °C |
| Density | 1.394 g/mL |
| Isomeric SMILES | C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)O)N)O |
| pKa | 3.22±0.10 |
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