N-Carbobenzoxyleucyl-leucyl-arginine-2-naphthylamide
Basic information
- CAS
112219-39-3- Standard SMILES
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)[C@H](CCCN=C(N)N)Nc1ccc2ccccc2c1- InChIKey
XRQVSPWHGQGBJH-CHQNGUEUSA-N- Molecular formula
- C36H49N7O5
- Average molar mass
- 659.8 g/mol
- Monoisotopic mass
- 659.37951769
Names & identifiers
- Preferred name
- N-Carbobenzoxyleucyl-leucyl-arginine-2-naphthylamide
- IUPAC
- benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-2-(naphthalen-2-ylamino)pentanoyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
- English name
- N-carbobenzoxyleucyl-leucyl-arginine-2-naphthylamide
- Molecular formula
- C36H49N7O5
- Molecular weight
- 659.82
Names & synonyms
Cbz-leu-leu-arg-2-nnpN-Carbobenzoxyleucyl-leucyl-arginine-2-naphthylamide112219-39-3DTXSID20149960RefChem:163093DTXCID8072451N-[(Benzyloxy)carbonyl]-L-leucyl-N-{(2S)-5-[(diaminomethylidene)amino]-2-[(naphthalen-2-yl)amino]pentanoyl}-L-leucinamideL-Argininamide, N-[(phenylmethoxy)carbonyl]-L-leucyl-L-leucyl-N-2-naphthalenyl- (9CI)
Database identifiers
- CAS
112219-39-3- PubChem CID
- 196665
- DTXSID
DTXSID20149960
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 190 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 18
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 1,060
Physicochemical properties
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 11.14 · 11.14±0.46(Predicted)
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Compound notes
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