atosiban [1071]
atosiban
| SMILES | CCOc1ccc(CC2NC(=O)CCSSCC(C(=O)N3CCCC3C(=O)NC(CCCN)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(C(C)O)NC(=O)C(C(C)CC)NC2=O)cc1 |
| InChIKey | VWXRQYYUEIYXCZ-UHFFFAOYSA-N |
| Sequence | XYITNCPXG |
| HELM | PEPTIDE1{[*C(=O)CCS* |$_R2;;;;;;_R3$|].[*C(=O)[C@@H](Cc1ccc(cc1)OCC)N* |$_R2;;;;;;;;;;;;;;;_R1$|].I.T.N.C.P.[Orn].G.[am]}$PEPTIDE1,PEPTIDE1,1:R3-6:R3$$$ |
Chemical Properties
| Hydrogen bond acceptors | None |
| Hydrogen bond donors | None |
| Rotatable bonds | None |
| Log P | None |
| Molecular weight (Da) | None |
No bioactivity data available.
atosiban
Drug properties
| Molecular type | Peptide |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Database connections
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