For research use only. Not for therapeutic Use.
| Catalog Number | M037393 |
| CAS Number | 172546-75-7 |
| Molecular Formula | C46H55N11O7S |
| Purity | ≥95% |
| Storage | Store at -20C |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid |
| InChI | InChI=1S/C46H55N11O7S/c47-17-9-8-16-36(53-45(62)40(25-65)57-41(58)33(48)21-30-24-49-26-52-30)42(59)54-37(18-27-10-2-1-3-11-27)43(60)55-38(19-28-22-50-34-14-6-4-12-31(28)34)44(61)56-39(46(63)64)20-29-23-51-35-15-7-5-13-32(29)35/h1-7,10-15,22-24,26,33,36-40,50-51,65H,8-9,16-21,25,47-48H2,(H,49,52)(H,53,62)(H,54,59)(H,55,60)(H,56,61)(H,57,58)(H,63,64)/t33-,36-,37-,38-,39-,40-/m0/s1 |
| InChIKey | ITHDAFCBITUNSR-CCMAZBEPSA-N |
| SMILES | C1=CC=C(C=C1)CC(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CS)NC(=O)C(CC6=CN=CN6)N |
