Basic information
- Standard SMILES
COC(=O)CNC(=O)[C@H](NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C)C(C)C- InChIKey
BYEZSXOLRDNVKK-AOHALUMWSA-N- Molecular formula
- C50H54N4O7S
- Average molar mass
- 855.1 g/mol
- Monoisotopic mass
- 854.37132125
Names & identifiers
- Preferred name
- ((r)-2-{(s)-2-[(r)-2-(9h-Fluoren-9-ylmethoxycarbonylamino)-3-methyl-butyrylamino]-3-tritylsulfanyl-propionylamino}-3-methyl-butyrylamino)-acetic acid methyl ester
- IUPAC
- methyl 2-[[(2R)-2-[[(2S)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]-3-tritylsulfanylpropanoyl]amino]-3-methylbutanoyl]amino]acetate
Names & synonyms
SCHEMBL2197673BYEZSXOLRDNVKK-AOHALUMWSA-N((r)-2-{(s)-2-[(r)-2-(9h-fluoren-9-ylmethoxycarbonylamino)-3-methyl-butyrylamino]-3-tritylsulfanyl-propionylamino}-3-methyl-butyrylamino)-acetic acid methyl ester
Database identifiers
- PubChem CID
- 67313819
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 20
- Heavy atoms
- 62
- Formal charge
- 0
- Complexity
- 1,410
Related reactions
1 records
Compound notes
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