Basic information
- CAS
146063-29-8- Standard SMILES
CCOP(=O)(C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C- InChIKey
CJXVNUDJJMYDLS-FXPGPNBMSA-N- Molecular formula
- C45H57N4O9P
- Average molar mass
- 828.9 g/mol
- Monoisotopic mass
- 828.38631641
Names & identifiers
- Preferred name
- 2,5,10,13-Tetraaza-7-phosphatetradecanedioic acid, 7-ethoxy-8-hydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-6,9-bis(phenylmethyl)-, bis(phenylmethyl) ester, 7-oxide
- IUPAC
- benzyl N-[(2S)-1-[[1-[ethoxy-[1-hydroxy-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropyl]phosphoryl]-2-phenylethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
Names & synonyms
2,5,10,13-Tetraaza-7-phosphatetradecanedioic acid, 7-ethoxy-8-hydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-6,9-bis(phenylmethyl)-, bis(phenylmethyl) ester, 7-oxide146063-29-8
Database identifiers
- CAS
146063-29-8- PubChem CID
- 465616
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 23
- Heavy atoms
- 59
- Formal charge
- 0
- Complexity
- 1,330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…