Methyl 8,11-diisobutyl-5-methyl-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13-tetraazapentadecan-15-oate
Basic information
- CAS
16816-30-1- Standard SMILES
COC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)OCc1ccccc1- InChIKey
ATTDJTKUYDOLIQ-UHFFFAOYSA-N- Molecular formula
- C26H40N4O7
- Average molar mass
- 520.6 g/mol
- Monoisotopic mass
- 520.28969963
Names & identifiers
- Preferred name
- Methyl 8,11-diisobutyl-5-methyl-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13-tetraazapentadecan-15-oate
- IUPAC
- methyl 2-[[4-methyl-2-[[4-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]pentanoyl]amino]pentanoyl]amino]acetate
Names & synonyms
NSC14081716816-30-1NSC 140817Methyl 8,11-diisobutyl-5-methyl-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,13-tetraazapentadecan-15-oateDTXSID90937457NSC-1408173,6,9-Trihydroxy-N-(2-methoxy-2-oxoethyl)-5-methyl-8,11-bis(2-methylpropyl)-1-phenyl-2-oxa-4,7,10-triazadodeca-3,6,9-trien-12-imidic acidmethyl 2-[[2-[[2-[2-(benzyloxycarbonylamino)propanoylamino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoyl]amino]acetate
Database identifiers
- CAS
16816-30-1- PubChem CID
- 284669
- DTXSID
DTXSID90937457
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 16
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 766
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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