Basic information
- CAS
1262750-63-9- Standard SMILES
CC(=O)O.C[C@@H](N)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O- InChIKey
RNRQNIXDWUFGFX-ZPGAAPGCSA-N- Molecular formula
- C37H60N10O17
- Average molar mass
- 916.9 g/mol
- Monoisotopic mass
- 916.41379048
Names & identifiers
- Preferred name
- DAPTA acetate
- IUPAC
- acetic acid;(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
Names & synonyms
DAPTA acetateD-Ala1-peptide-t-amide acetate29L09L9OF2Peptide-t amide,1(D-Ala) acetate1262750-63-9D-Ala-Ser-Thr-Thr-Thr-Asn-Tyr-Thr-NH2 acetateDAPTA (acetate)UNII-29L09L9OF2
Database identifiers
- CAS
1262750-63-9- PubChem CID
- 71308554
- UNII
- 29L09L9OF2
Properties
Computed structural properties
- Topological polar surface area
- 475 Ų
- Hydrogen bond donors
- 17
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 24
- Heavy atoms
- 64
- Formal charge
- 0
- Complexity
- 1,560
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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