Ac-Ala-Thr-Leu-Asn-Phe-Pro-Ile-Ser-Pro-Ile-Glu-NH2
Basic information
- CAS
128210-64-0- Standard SMILES
CC[C@H](C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)C(NC(=O)[C@H](C)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(N)=O- InChIKey
VIVYKPCMRAVLND-UYDNEXTQSA-N- Molecular formula
- C58H91N13O17
- Average molar mass
- 1,242.4 g/mol
- Monoisotopic mass
- 1,241.66558849
Names & identifiers
- Preferred name
- Ac-Ala-Thr-Leu-Asn-Phe-Pro-Ile-Ser-Pro-Ile-Glu-NH2
- IUPAC
- (4S)-4-[[(3S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3R)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-5-amino-5-oxopentanoic acid
Names & synonyms
Ac-Ala-Thr-Leu-Asn-Phe-Pro-Ile-Ser-Pro-Ile-Glu-NH2128210-64-0
Database identifiers
- CAS
128210-64-0- PubChem CID
- 473345
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 466 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 35
- Heavy atoms
- 88
- Formal charge
- 0
- Complexity
- 2,500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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