For research use only. Not for therapeutic Use.
| Catalog Number | M112257 |
| CAS Number | 135546-61-1 |
| Synonyms | hirudin (53-64) |
| Molecular Formula | C68H96N14O26 |
| Purity | ≥95% |
| Storage | -20°C |
| IUPAC Name | (4S)-4-[[(2S)-1-[(2S,3S)-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]acetyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]amino]-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-4-carboxy-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid |
| InChI | InChI=1S/C68H96N14O26/c1-6-34(4)56(81-61(100)43(21-25-54(92)93)75-58(97)40(18-22-51(86)87)76-63(102)45(28-36-11-8-7-9-12-36)80-65(104)47(31-55(94)95)73-50(85)32-71-57(96)39(69)30-49(70)84)67(106)82-26-10-13-48(82)66(105)77-42(20-24-53(90)91)59(98)74-41(19-23-52(88)89)60(99)79-46(29-37-14-16-38(83)17-15-37)64(103)78-44(27-33(2)3)62(101)72-35(5)68(107)108/h7-9,11-12,14-17,33-35,39-48,56,83H,6,10,13,18-32,69H2,1-5H3,(H2,70,84)(H,71,96)(H,72,101)(H,73,85)(H,74,98)(H,75,97)(H,76,102)(H,77,105)(H,78,103)(H,79,99)(H,80,104)(H,81,100)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,107,108)/t34-,35-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,56-/m0/s1 |
| InChIKey | VLFYEJLWSPRLPB-NETUVYTNSA-N |
| SMILES | CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CC(=O)N)N |
