Basic information
- Standard SMILES
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)NC[C@@H](O)CP(=O)(CC1CCCCC1)OCc1ccccc1)C(C)C- InChIKey
NJZUTZLKVWDKQM-UHPMCTOJSA-N- Molecular formula
- C36H54N3O7P
- Average molar mass
- 671.8 g/mol
- Monoisotopic mass
- 671.36993807
Names & identifiers
- Preferred name
- {(r)-3-[(s)-2-((s)-2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-3-methyl-butyrylamino]-2-hydroxy-propyl}-cyclohexylmethyl-phosphinic acid benzyl ester
- IUPAC
- benzyl N-[(2S)-1-[[(2S)-1-[[(2R)-3-[cyclohexylmethyl(phenylmethoxy)phosphoryl]-2-hydroxypropyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Names & synonyms
SCHEMBL3386036NJZUTZLKVWDKQM-UHPMCTOJSA-N{(r)-3-[(s)-2-((s)-2-benzyloxycarbonylamino-4-methyl-pentanoylamino)-3-methyl-butyrylamino]-2-hydroxy-propyl}-cyclohexylmethyl-phosphinic acid benzyl ester
Database identifiers
- PubChem CID
- 68622952
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 19
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 991
Related reactions
2 records
Compound notes
Loading…