Basic information
- Standard SMILES
CCN(C(=O)OC(C)(C)C)[C@@H](Cc1ccc(OC(=O)OCC(C)C)cc1)C(=O)N[C@H](CCSC)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCC(=O)OC- InChIKey
MLAHNZWUFULZIS-SBPNQFBHSA-N- Molecular formula
- C44H65N5O11S
- Average molar mass
- 872.1 g/mol
Names & identifiers
- Preferred name
- t-butoxycarbonyl-Nalpha-ethyl-O-(2-methylpropoxycarbonyl)-L-tyrosyl-D-methionylglycyl-N-(6-methoxy-6-oxohexyl)-L-phenylalaninamide
- IUPAC
- methyl 6-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[4-(2-methylpropoxycarbonyloxy)phenyl]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]hexanoate
Names & synonyms
MLAHNZWUFULZIS-SBPNQFBHSA-Nt-butoxycarbonyl-Nalpha -ethyl-O-(2-methylpropoxycarbonyl)-L-tyrosyl-D-methionylglycyl-N-(6-methoxy-6-oxohexyl)-L-phenylalaninamide
Database identifiers
- PubChem CID
- 14099355
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 233 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 30
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,380
Related reactions
3 records
Compound notes
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