calcitonin (Human) [1614]
calcitonin (Human)
| SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NC([C@@H](C)O)C(=O)N1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(N)=O)C(C)C |
| InChIKey | LDVRMNJZLWXJPL-GXQFRRLTSA-N |
| Sequence | CGNLSTCMLGTYTQDFNKFHTFPQTAIGVGAP |
| HELM | PEPTIDE1{C.G.N.L.S.[*C(=O)C([C@@H](C)O)N* |$_R2;;;;;;;;_R1$|].C.M.L.G.T.Y.T.Q.D.F.N.K.F.H.T.F.P.Q.T.A.I.G.V.G.A.P.[am]}$PEPTIDE1,PEPTIDE1,1:R3-7:R3$$$ |
Chemical Properties
| Hydrogen bond acceptors | 50 |
| Hydrogen bond donors | 45 |
| Rotatable bonds | 91 |
| Log P | -16.228 |
| Molecular weight (Da) | 3415.6 |
| Stereochemistry info | partial |