For research use only. Not for therapeutic Use.
| Catalog Number | M028044 |
| CAS Number | 121822-23-9 |
| Synonyms | hirugen |
| Molecular Formula | C65H91N13O28S |
| Purity | ≥95% |
| Storage | Store at +4C |
| IUPAC Name | (4S)-5-[[(2S)-1-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-[(2S)-4-methyl-1-oxo-1-sulfooxypentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-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-oxopentanoic acid |
| InChI | InChI=1S/C65H91N13O28S/c1-5-33(4)54(76-58(95)41(19-23-51(86)87)71-56(93)39(17-21-49(82)83)72-59(96)43(28-34-10-7-6-8-11-34)75-60(97)44(30-53(90)91)70-48(81)31-69-55(92)37(66)29-47(68)80)64(101)77-25-9-12-45(77)61(98)73-40(18-22-50(84)85)57(94)74-42(20-24-52(88)89)63(100)78(46(26-32(2)3)65(102)106-107(103,104)105)62(99)38(67)27-35-13-15-36(79)16-14-35/h6-8,10-11,13-16,32-33,37-46,54,79H,5,9,12,17-31,66-67H2,1-4H3,(H2,68,80)(H,69,92)(H,70,81)(H,71,93)(H,72,96)(H,73,98)(H,74,94)(H,75,97)(H,76,95)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,103,104,105)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,54-/m0/s1 |
| InChIKey | MGVRBUNKWISLAM-DQWUKECYSA-N |
| SMILES | CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N(C(CC(C)C)C(=O)OS(=O)(=O)O)C(=O)C(CC2=CC=C(C=C2)O)N)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 |
