For research use only. Not for therapeutic Use.
| CAS Number | 172615-51-9 |
| Molecular Formula | C73H114N18O22 |
| Purity | ≥95% |
| Storage | Store at -20C |
| IUPAC Name | (4S)-4-[[2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S,3S)-1-[[(2S)-4-carboxy-1-[[(2S)-1-(carboxymethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid |
| InChI | InChI=1S/C73H114N18O22/c1-5-41(4)61(72(112)84-49(27-29-58(98)99)67(107)85-50(63(103)80-38-59(100)101)34-42-16-7-6-8-17-42)90-69(109)52(36-55(78)94)87-71(111)60(40(2)3)89-68(108)51(35-43-22-24-44(93)25-23-43)86-66(106)48(26-28-57(96)97)81-56(95)37-79-70(110)54-21-15-33-91(54)73(113)53(39-92)88-65(105)47(20-11-14-32-76)83-64(104)46(19-10-13-31-75)82-62(102)45(77)18-9-12-30-74/h6-8,16-17,22-25,40-41,45-54,60-61,92-93H,5,9-15,18-21,26-39,74-77H2,1-4H3,(H2,78,94)(H,79,110)(H,80,103)(H,81,95)(H,82,102)(H,83,104)(H,84,112)(H,85,107)(H,86,106)(H,87,111)(H,88,105)(H,89,108)(H,90,109)(H,96,97)(H,98,99)(H,100,101)/t41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,60-,61-/m0/s1 |
| InChIKey | KVGQVWWLDJKNMP-YCOAWBJSSA-N |
| SMILES | CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C3CCCN3C(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)N |
