Peptide 7140
Basic information
- CAS
159440-06-9- Standard SMILES
CC(C)COC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1cccc2ccccc12)C(=O)N1CCC(C(=O)O[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)C(C)C)CC1- InChIKey
BEDFWZHAUMLCKV-RNATXAOGSA-N- Molecular formula
- C44H59N5O8
- Average molar mass
- 786 g/mol
- Monoisotopic mass
- 785.43636386
Names & identifiers
- Preferred name
- Peptide 7140
- IUPAC
- [(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] 1-[(2R)-2-[[(2R)-2-(2-methylpropoxycarbonylamino)-3-phenylpropanoyl]amino]-3-naphthalen-1-ylpropanoyl]piperidine-4-carboxylate
- English name
- Peptide 7140
- Molecular formula
- C44H59N5O8
- Molecular weight
- 785.96796
Names & synonyms
Peptide 7140159440-06-9iBOC-(D-Phe)-(D-alpha-Nal)-Pip-(alpha-(OH)-Leu)-Val-NH24-Piperidinecarboxylic acid, 1-(N-(N-((2-methylpropoxy)carbonyl)-D-phenylalanyl)-3-(1-naphthalenyl)-D-alanyl)-, 1-(((1-(aminocarbonyl)-2-methylpropyl)amino)carbonyl)-3-methylbutyl ester, (S-(R*,R*))-4-Piperidinecarboxylic acid, 1-[N-[N-[(2-methylpropoxy)carbonyl]-D-phenylalanyl]-3-(1-naphthalenyl)-D-alanyl]-, 1-[[[1-(aminocarbonyl)-2-methylpropyl]amino]carbonyl]-3-methylbutyl ester, [S-(R*,R*)]-SCHEMBL31033491DTXSID30166663iBOC-[D-Phe]-[D-.alpha.-Nal]-Pip-[.alpha.-(OH)-Leu]-Val-NH2(2S)-1-{[(2S)-1-Amino-3-methyl-1-oxobutan-2-yl]amino}-4-methyl-1-oxopentan-2-yl 1-{N-[(2-methylpropoxy)carbonyl]-D-phenylalanyl-3-(naphthalen-1-yl)-D-alanyl}piperidine-4-carboxylate
Database identifiers
- CAS
159440-06-9- PubChem CID
- 462203
- DTXSID
DTXSID30166663
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 20
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,340
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…