t-Butyl rel-alpha-[3(S)-(8-t-butoxycarbonylamino-1-ethoxycarbonyloctylamino)-2-oxo-6(R)-phenylperhydroazepin-1-yl]acetate
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Basic information
- Standard SMILES
CCOC(=O)C(CCCCCCCNC(=O)OC(C)(C)C)N[C@H]1CC[C@H](c2ccccc2)CN(CC(=O)OC(C)(C)C)C1=O- InChIKey
SMZMRULJNYUECZ-ZLBDCPSSSA-N- Molecular formula
- C34H55N3O7
- Average molar mass
- 617.8 g/mol
Names & identifiers
- Preferred name
- t-Butyl rel-alpha-[3(S)-(8-t-butoxycarbonylamino-1-ethoxycarbonyloctylamino)-2-oxo-6(R)-phenylperhydroazepin-1-yl]acetate
- IUPAC
- ethyl 9-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(3S,6R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-6-phenylazepan-3-yl]amino]nonanoate
Names & synonyms
SCHEMBL9323433SMZMRULJNYUECZ-ZLBDCPSSSA-Nt-Butyl rel-alpha-[3(S)-(8-t-butoxycarbonylamino-1-ethoxycarbonyloctylamino)-2-oxo-6(R)-phenylperhydroazepin-1-yl]acetate
Database identifiers
- PubChem CID
- 22840211
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 20
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 906
Related reactions
1 records
Compound notes
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