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CHEBI:60972 - Ac-Cha-Arg-Tic-Met-βPhPro-[S(oxaz)L]-NMe2
| Formula | C51H71N11O9S |
| Net Charge | 0 |
| Average Mass | 1014.264 |
| Monoisotopic Mass | 1013.51569 |
| SMILES | CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1CCCCC1)NC(C)=O)C(=O)N1CC[C@H](c2ccccc2)[C@H]1C(=O)N[C@@H](CO)c1nc(C(=O)N(C)C)co1 |
| InChI | InChI=1S/C51H71N11O9S/c1-31(64)55-39(26-32-14-7-5-8-15-32)44(65)56-37(20-13-23-54-51(52)53)50(70)62-28-35-19-12-11-18-34(35)27-42(62)45(66)57-38(22-25-72-4)49(69)61-24-21-36(33-16-9-6-10-17-33)43(61)46(67)58-40(29-63)47-59-41(30-71-47)48(68)60(2)3/h6,9-12,16-19,30,32,36-40,42-43,63H,5,7-8,13-15,20-29H2,1-4H3,(H,55,64)(H,56,65)(H,57,66)(H,58,67)(H4,52,53,54)/t36-,37+,38+,39+,40+,42+,43+/m1/s1 |
| InChIKey | RSRRDPIKROWHNF-GYEOOIAESA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Ac-Cha-Arg-Tic-Met-βPhPro-[S(oxaz)L]-NMe2 (CHEBI:60972) is a oligopeptide (CHEBI:25676) |
| IUPAC Name |
|---|
| N-{[(3S)-2-(N-acetyl-3-cyclohexyl-L-alanyl-L-arginyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]carbonyl}-L-methionyl-(3R)-L-{(1S)-1-[4-(dimethylcarbamoyl)-1,3-oxazol-2-yl]-2-hydroxyethyl}-3-phenyl-L-prolinamide |
| Synonym | Source |
|---|---|
| Ac-(Cha)R(Tic)M(βPhPro)[S(oxaz)L]-NMe2 | ChEBI |
| Citations |
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