(S)-methyl 4-(tert-butoxycarbonylamino)-5-((S)-1-(4-iodobenzylamino)-5-methoxy-1,5-dioxopentan-2-ylamino)-5-oxopentanoate
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Basic information
- Standard SMILES
COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OC)C(=O)NCc1ccc(I)cc1- InChIKey
PXLRFHUPKZYODR-ROUUACIJSA-N- Molecular formula
- C24H34IN3O8
- Average molar mass
- 619.4 g/mol
Names & identifiers
- Preferred name
- (S)-methyl 4-(tert-butoxycarbonylamino)-5-((S)-1-(4-iodobenzylamino)-5-methoxy-1,5-dioxopentan-2-ylamino)-5-oxopentanoate
- IUPAC
- methyl (4S)-5-[(4-iodophenyl)methylamino]-4-[[(2S)-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-5-oxopentanoate
Names & synonyms
SCHEMBL3406078PXLRFHUPKZYODR-ROUUACIJSA-N(S)-methyl 4-(tert-butoxycarbonylamino)-5-((S)-1-(4-iodobenzylamino)-5-methoxy-1,5-dioxopentan-2-ylamino)-5-oxopentanoate
Database identifiers
- PubChem CID
- 68630252
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 16
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 763
Related reactions
2 records
Compound notes
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