
| CAS Number | 1370290-58-6 |
| Catalog Number | AG01E6MR |
| Chemical Name | Spexin trifluoroacetate salt H-Asn-Trp-Thr-Pro-Gln-Ala-Met-Leu-Tyr-Leu-Lys-Gly-Ala-Gln-NH2 trifluoroacetate salt |
| IUPAC Name | (2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]pentanediamide |
| InChI | InChI=1S/C74H114N20O19S/c1-37(2)30-52(69(108)87-49(16-11-12-27-75)66(105)82-36-60(100)83-39(5)63(102)85-48(62(80)101)22-24-57(77)97)91-71(110)54(32-42-18-20-44(96)21-19-42)92-70(109)53(31-38(3)4)90-68(107)51(26-29-114-8)86-64(103)40(6)84-67(106)50(23-25-58(78)98)88-73(112)56-17-13-28-94(56)74(113)61(41(7)95)93-72(111)55(89-65(104)46(76)34-59(79)99)33-43-35-81-47-15-10-9-14-45(43)47/h9-10,14-15,18-21,35,37-41,46,48-56,61,81,95-96H,11-13,16-17,22-34,36,75-76H2,1-8H3,(H2,77,97)(H2,78,98)(H2,79,99)(H2,80,101)(H,82,105)(H,83,100)(H,84,106)(H,85,102)(H,86,103)(H,87,108)(H,88,112)(H,89,104)(H,90,107)(H,91,110)(H,92,109)(H,93,111)/t39-,40-,41+,46-,48-,49-,50-,51-,52-,53-,54-,55-,56-,61-/m0/s1 |
| InChI Key | ZZDZBDJTNIOJMF-TWMPYRTRSA-N |
| MDL Number | MFCD11617281 |
| Molecular Formula | C74H114N20O19S |
| Molecular Weight | 1619.8846 |
| SMILES | C(C1=CNC2=CC=CC=C12)[C@H](NC(=O)[C@@H](N)CC(=O)N)C(=O)N[C@@H]([C@H](O)C)C(N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N)CCC(=O)N)CC1C=CC(O)=CC=1)=O |
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