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CHEBI:131884 - calpastatin peptide Ac 184-210
| Formula | C142H230N36O44S |
| Net Charge | 0 |
| Average Mass | 3177.677 |
| Monoisotopic Mass | 3175.65874 |
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O)[C@@H](C)CC)[C@@H](C)O)C(C)C |
| InChI | InChI=1S/C142H230N36O44S/c1-18-74(11)111(172-129(211)97(65-81-38-42-83(185)43-39-81)168-136(218)113(77(14)181)174-131(213)100(69-180)170-130(212)99(68-179)169-124(206)92(52-60-223-17)162-132(214)101-33-26-57-176(101)138(220)98(66-109(195)196)154-79(16)183)135(217)163-90(46-50-107(191)192)121(203)159-88(44-48-105(187)188)122(204)164-93(61-70(3)4)116(198)152-67-104(186)155-84(29-20-22-53-143)117(199)156-86(31-24-55-150-141(146)147)118(200)160-91(47-51-108(193)194)125(207)171-110(73(9)10)134(216)175-114(78(15)182)137(219)173-112(75(12)19-2)140(222)178-59-28-35-103(178)139(221)177-58-27-34-102(177)133(215)161-85(30-21-23-54-144)120(202)167-96(64-80-36-40-82(184)41-37-80)128(210)157-87(32-25-56-151-142(148)149)119(201)158-89(45-49-106(189)190)123(205)165-95(63-72(7)8)127(209)166-94(62-71(5)6)126(208)153-76(13)115(145)197/h36-43,70-78,84-103,110-114,179-182,184-185H,18-35,44-69,143-144H2,1-17H3,(H2,145,197)(H,152,198)(H,153,208)(H,154,183)(H,155,186)(H,156,199)(H,157,210)(H,158,201)(H,159,203)(H,160,200)(H,161,215)(H,162,214)(H,163,217)(H,164,204)(H,165,205)(H,166,209)(H,167,202)(H,168,218)(H,169,206)(H,170,212)(H,171,207)(H,172,211)(H,173,219)(H,174,213)(H,175,216)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H4,146,147,150)(H4,148,149,151)/t74-,75-,76-,77+,78+,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,110-,111-,112-,113-,114-/m0/s1 |
| InChIKey | ZXJCOYBPXOBJMU-HSQGJUDPSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | EC 3.4.22.53 (calpain-2) inhibitor A calpain inhibitor that interferes with the action of calpain-2 (EC 3.4.22.53). EC 3.4.22.52 (calpain-1) inhibitor A calpain inhibitor that interferes with the action of calpain-1 (EC 3.4.22.52). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| calpastatin peptide Ac 184-210 (CHEBI:131884) has role EC 3.4.22.52 (calpain-1) inhibitor (CHEBI:79050) |
| calpastatin peptide Ac 184-210 (CHEBI:131884) has role EC 3.4.22.53 (calpain-2) inhibitor (CHEBI:82821) |
| calpastatin peptide Ac 184-210 (CHEBI:131884) is a polypeptide (CHEBI:15841) |
| IUPAC Name |
|---|
| N-acetyl-L-α-aspartyl-L-prolyl-L-methionyl-L-seryl-L-seryl-L-threonyl-L-tyrosyl-L-isoleucyl-L-α-glutamyl-L-α-glutamyl-L-leucylglycyl-L-lysyl-L-arginyl-L-α-glutamyl-L-valyl-L-threonyl-L-isoleucyl-L-prolyl-L-prolyl-L-lysyl-L-tyrosyl-L-arginyl-L-α-glutamyl-L-leucyl-L-leucyl-L-alaninamide |
| Synonyms | Source |
|---|---|
| Calpastatin Peptide B27-WT | ChEBI |
| Ac-calpastatin (184-210) | ChEBI |
| Ac-Asp-Pro-Met-Ser-Ser-Thr-Tyr-Ile-Glu-Glu-Leu-Gly-Lys-Arg-Glu-Val-Thr-Ile-Pro-Pro-Lys-Tyr-Arg-Glu-Leu-Leu-Ala-NH2 | ChEBI |
| Ac-L-Asp-L-Pro-L-Met-L-Ser-L-Ser-L-Thr-L-Tyr-L-Ile-L-Glu-L-Glu-L-Leu-Gly-L-Lys-L-Arg-L-Glu-L-Val-L-Thr-L-Ile-L-Pro-L-Pro-L-Lys-L-Tyr-L-Arg-L-Glu-L-Leu-L-Leu-L-Ala-NH2 | ChEBI |
| acetyl-calpastatin (184-210) | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:24313356 | Reaxys |
| Citations |
|---|