For research use only. Not for therapeutic Use.
| CAS Number | 25696-21-3 |
| Molecular Formula | C77H109N21O20S1 |
| Purity | ≥95% |
| Storage | 2-8°C |
| IUPAC Name | (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-(carboxymethylamino)-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid |
| InChI | InChI=1S/C77H109N21O20S/c1-42(2)64(75(117)86-38-63(105)106)97-74(116)60-19-12-29-98(60)76(118)54(17-9-10-27-78)88-61(102)37-85-66(108)57(33-45-35-84-50-16-8-7-15-48(45)50)94-67(109)51(18-11-28-83-77(80)81)89-70(112)56(31-43-13-5-4-6-14-43)93-72(114)58(34-46-36-82-41-87-46)95-68(110)52(24-25-62(103)104)90-69(111)53(26-30-119-3)91-73(115)59(40-100)96-71(113)55(92-65(107)49(79)39-99)32-44-20-22-47(101)23-21-44/h4-8,13-16,20-23,35-36,41-42,49,51-60,64,84,99-101H,9-12,17-19,24-34,37-40,78-79H2,1-3H3,(H,82,87)(H,85,108)(H,86,117)(H,88,102)(H,89,112)(H,90,111)(H,91,115)(H,92,107)(H,93,114)(H,94,109)(H,95,110)(H,96,113)(H,97,116)(H,103,104)(H,105,106)(H4,80,81,83)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,64-/m0/s1 |
| InChIKey | WKVUCFHTERJJRV-MSKBXMOCSA-N |
| SMILES | CC(C)[C@@H](C(=O)NCC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](CO)N |
| Sequence | Ser-Tyr-Ser-Met-Glu-His-Phe-Arg-Trp-Gly-Lys-Pro-Val-Gly |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
