Dapta
(2S)-N-[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]butanediamide
Also Known As: DAPTA|Adaptavir|(D-Ala1)-peptide T amide|Octapeptide T|Peptide T amide|mDAPTA|Monomeric DAPTA|D-Ala-peptide T-amide|PEPTIDE T|monomeric D-Ala-peptide|D-Ala1-peptide T-amide|DAPTA TFA|RAP101|D-Ala1-peptide T-NH2|[D-Ala1]peptide T amide|(D-Alanine1)Peptide T amide|[D-Ala1] Peptide T Amide|[D-Ala1] Peptide T, amide|(D-ALA1)-PEPTIDETAMIDE|monomeric d-Ala-peptide T-amide|PEPTIDE T AMIDE, 1(D-ALA)|RAP-101|HY-P1034|s8501|D-Ala-Ser-Thr-Thr-Thr-Asn-Tyr-Thr-NH2|CA-1416|CS-7601|NCGC00599627-01
| Molecular Formula | C35H56N10O15 |
|---|---|
| Molecular Weight | 856.39264 g/mol |
| LogP | -6.9 |
| Topological Polar Surface Area | 437.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 24 |
| Exact Mass | 856.39264 |
| Monoisotopic Mass | 856.39264 |
| Heavy Atoms | 60 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 63249-99-0 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@@H](C)N)O |
| InChIKey | AKWRNBWMGFUAMF-ZESMOPTKSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dapta (CAS 63249-99-0), with molecular formula C35H56N10O15 and molecular weight 856.39264 g/mol. IUPAC: (2S)-N-[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]butanediamide.