
| CAS Number | 178249-41-7 |
| Catalog Number | AG00AKRB(AGN-PC-0QBAK1) |
| Chemical Name | Orphanin FQ (1-11) |
| IUPAC Name | (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoic acid |
| InChI | InChI=1S/C49H75N15O14/c1-27(41(70)61-34(18-12-20-54-49(52)53)43(72)62-33(17-10-11-19-50)44(73)63-36(26-65)46(75)59-28(2)48(77)78)58-38(68)25-57-47(76)40(29(3)66)64-45(74)35(22-31-15-8-5-9-16-31)60-39(69)24-55-37(67)23-56-42(71)32(51)21-30-13-6-4-7-14-30/h4-9,13-16,27-29,32-36,40,65-66H,10-12,17-26,50-51H2,1-3H3,(H,55,67)(H,56,71)(H,57,76)(H,58,68)(H,59,75)(H,60,69)(H,61,70)(H,62,72)(H,63,73)(H,64,74)(H,77,78)(H4,52,53,54)/t27-,28-,29+,32-,33-,34-,35-,36-,40-/m0/s1 |
| InChI Key | BBTOUBACUUPBRQ-KCKZSKPYSA-N |
| MDL Number | MFCD11113679 |
| Molecular Formula | C49H75N15O14 |
| Molecular Weight | 1098.2119 |
| SMILES | NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)N)C)CCCNC(=N)N |
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