Basic information
- Standard SMILES
CC(C)(C)OC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nn1cccc1C(N)=O- InChIKey
NXLSAQJZILPSLO-LBPRGKRZSA-N- Molecular formula
- C19H30N4O6
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.21653469
Names & identifiers
- Preferred name
- (s)-Tert-butyl 4-(tert-butoxycarbonylamino)-5-(2-carbamoyl-1h-pyrrol-1-ylamino)-5-oxopentanoate
- IUPAC
- tert-butyl (4S)-5-[(2-carbamoylpyrrol-1-yl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
Names & synonyms
SCHEMBL8135865NXLSAQJZILPSLO-LBPRGKRZSA-N(s)-tert-butyl 4-(tert-butoxycarbonylamino)-5-(2-carbamoyl-1h-pyrrol-1-ylamino)-5-oxopentanoate
Database identifiers
- PubChem CID
- 59313696
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 623
Related reactions
1 records
Compound notes
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