
| CAS Number | 301544-78-5 |
| Catalog Number | AG00C4IV |
| Chemical Name | Compstatin control peptide |
| IUPAC Name | (3S)-3-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-4-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid |
| InChI | InChI=1S/C66H101N23O17/c1-10-32(6)50(68)63(104)80-34(8)55(96)87-52(31(4)5)65(106)88-51(30(2)3)64(105)83-42(17-18-47(67)91)59(100)86-46(23-49(93)94)62(103)84-43(20-36-24-75-40-15-12-11-14-39(36)40)57(98)76-27-48(92)81-44(21-37-25-72-28-77-37)60(101)85-45(22-38-26-73-29-78-38)61(102)82-41(16-13-19-74-66(70)71)58(99)79-33(7)56(97)89-53(35(9)90)54(69)95/h11-12,14-15,24-26,28-35,41-46,50-53,75,90H,10,13,16-23,27,68H2,1-9H3,(H2,67,91)(H2,69,95)(H,72,77)(H,73,78)(H,76,98)(H,79,99)(H,80,104)(H,81,92)(H,82,102)(H,83,105)(H,84,103)(H,85,101)(H,86,100)(H,87,96)(H,88,106)(H,89,97)(H,93,94)(H4,70,71,74)/t32-,33-,34-,35+,41-,42-,43-,44-,45-,46-,50-,51-,52-,53-/m0/s1 |
| InChI Key | SAJZITDYWAOPDD-LSPMIEDISA-N |
| MDL Number | MFCD16621677 |
| Molecular Formula | C66H101N23O17 |
| Molecular Weight | 1488.652 |
| SMILES | C(C1=CNC2=CC=CC=C12)[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N)[C@H](O)C)CC1NC=NC=1)CC1NC=NC=1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H]([C@@H](C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](N)[C@@H](C)CC |
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