For research use only. Not for therapeutic Use.
| Catalog Number | M129692 |
| CAS Number | 197171-78-1 |
| Molecular Formula | C44H68N10O18S2 |
| Purity | ≥95% |
| Storage | -80°C |
| IUPAC Name | (4S)-4-[[(2S)-3-carboxy-2-[[(2S,3R)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-3-carboxy-2-[[(2R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-sulfanylpropanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxopentanoic acid |
| InChI | InChI=1S/C44H68N10O18S2/c1-4-20(2)34(53-39(66)27(17-33(61)62)48-40(67)29(18-73)51-36(63)24(46)7-5-6-14-45)42(69)52-30(19-74)41(68)54-35(21(3)55)43(70)49-26(16-32(59)60)38(65)47-25(12-13-31(57)58)37(64)50-28(44(71)72)15-22-8-10-23(56)11-9-22/h8-11,20-21,24-30,34-35,55-56,73-74H,4-7,12-19,45-46H2,1-3H3,(H,47,65)(H,48,67)(H,49,70)(H,50,64)(H,51,63)(H,52,69)(H,53,66)(H,54,68)(H,57,58)(H,59,60)(H,61,62)(H,71,72)/t20-,21+,24-,25-,26-,27-,28-,29-,30-,34-,35-/m0/s1 |
| InChIKey | UKYKOPVJKNUPKM-CEVKKRDOSA-N |
| SMILES | CCC(C)C(C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CS)NC(=O)C(CCCCN)N |
