Basic information
- Standard SMILES
COC(=O)CNC(=O)[C@H](NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)C- InChIKey
QFBYMKSVMOFOEU-BTMCNDDJSA-N- Molecular formula
- C45H45N3O6S
- Average molar mass
- 755.9 g/mol
Names & identifiers
- Preferred name
- {(R)-2-[(S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanyl-propionylamino]-3-methyl-butyrylamino}-acetic acid methyl ester
- IUPAC
- methyl 2-[[(2R)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]-3-methylbutanoyl]amino]acetate
Names & synonyms
SCHEMBL1410927QFBYMKSVMOFOEU-BTMCNDDJSA-N{(r)-2-[(s)-2-(9h-fluoren-9-ylmethoxycarbonylamino)-3-(tritylsulfanyl)-propionylamino]-3-methyl-butyrylamino}-acetic acid methyl ester{(R)-2-[(S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(tritylsulfanyl)-propionylamino]3-methyl-butyrylamino}-acetic acid methyl ester{(R)-2-[(S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanyl-propionylamino]-3-methyl-butyrylamino}-acetic acid methyl ester
Database identifiers
- PubChem CID
- 57696983
Properties
Computed structural properties
- XLogP
- 8.4
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 17
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
6 records
Compound notes
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