Basic information
- Standard SMILES
Cc1noc([C@@H](Cc2ccc3ccccc3c2)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)C=CC(C)(C)NC(=O)OC(C)(C)C)n1- InChIKey
PMKPKWJSNZGPAL-KKLWWLSJSA-N- Molecular formula
- C40H45N5O5
- Average molar mass
- 675.8 g/mol
Names & identifiers
- Preferred name
- (1,1-dimethyl-3-[(1R)-1-{N-methyl-N-{(1R)-1-(3-methyl-[1,2,4]oxadiazol-5-yl)-2-(2-naphthyl)ethyl}carbamoyl}-2-(2-naphthyl)ethylcarbamoyl]allyl}carbamic acid tertbutyl ester
- IUPAC
- tert-butyl N-[2-methyl-5-[[(2R)-1-[methyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-naphthalen-2-ylethyl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]amino]-5-oxopent-3-en-2-yl]carbamate
Names & synonyms
(1,1-dimethyl-3-[(1R)-1-{N-methyl-N-{(1R)-1-(3-methyl-[1,2,4]oxadiazol-5-yl)-2-(2-naphthyl)ethyl}carbamoyl}-2-(2-naphthyl)ethylcarbamoyl]allyl}carbamic acid tertbutyl ester{1,1-dimethyl-3-[(1r)-1-{n-methyl-n-{(1r)-1-(3-methyl-[1,2,4]oxadiazol-5-yl)-2-(2-naphthyl)ethyl}carbamoyl}-2-(2-naphthyl)ethylcarbamoyl]allyl}carbamic acid tertbutyl esterSCHEMBL6600520PMKPKWJSNZGPAL-KKLWWLSJSA-N
Database identifiers
- PubChem CID
- 54196845
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 13
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,190
Related reactions
2 records
Compound notes
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