Peptide 7194
Basic information
- CAS
159440-08-1- Standard SMILES
CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N1CCC(C(=O)O[C@@H](CC(C)C)C(=O)N[C@H](C(=O)O)C(C)C)CC1- InChIKey
XFRDRCQWWIIAHK-NAQJMGRXSA-N- Molecular formula
- C44H58N4O9
- Average molar mass
- 787 g/mol
- Monoisotopic mass
- 786.42037944
Names & identifiers
- Preferred name
- Peptide 7194
- IUPAC
- (2S)-3-methyl-2-[[(2S)-4-methyl-2-[1-[(2R)-2-[[(2S)-2-(2-methylpropoxycarbonylamino)-3-phenylpropanoyl]amino]-3-naphthalen-2-ylpropanoyl]piperidine-4-carbonyl]oxypentanoyl]amino]butanoic acid
- English name
- Peptide 7194
- Molecular formula
- C44H58N4O9
- Molecular weight
- 786.95272
Names & synonyms
Peptide 7194Peptide 7196159440-08-1iBOC-(L-Phe)-(D-beta-Nal)-Pip-(alpha-(OH)-Leu-Val-DPPE4-Piperidinecarboxylic acid, 1-(N-(N-((2-methylpropoxy)carbonyl)-L-phenylalanyl)-3-(2-naphthalenyl)-D-alanyl)-, 10-hydroxy-4-(1-methylethyl)-1-(2-methylpropyl)-10-oxido-2,5,16-trioxo-13-((1-oxohexadecyl)oxy)-9,11,15-trioxa-3,6-diaza-10-phosphahentriacont-1-yl ester, (1S-(1R*,4R*,13S))-4-Piperidinecarboxylic acid, 1-(N-(N-((2-methylpropoxy)carbonyl)-L-phenylalanyl)-3-(2-naphthalenyl)-D-alanyl)-, 1-(((1-carboxy-2-methylpropyl)amino)carbonyl)-3-methylbutyl ester, (S-(R*,R*))-4-Piperidinecarboxylic acid, 1-[N-[N-[(2-methylpropoxy)carbonyl]-L-phenylalanyl]-3-(2-naphthalenyl)-D-alanyl]-, 1-[[(1-carboxy-2-methylpropyl)amino]carbonyl]-3-methylbutyl ester, [S-(R*,R*)]-iBOC-(L-Phe)-(D-beta-Nal)-Pip-(alpha-(OH)-Leu)-ValSCHEMBL29527298DTXSID90166664iBOC-[L-Phe]-[D-.beta.-Nal]-Pip-[.alpha.-(OH)-Leu]-ValN-{(2S)-4-Methyl-2-[(1-{N-[(2-methylpropoxy)carbonyl]-L-phenylalanyl-3-(naphthalen-2-yl)-D-alanyl}piperidine-4-carbonyl)oxy]pentanoyl}-L-valine
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 20
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,340
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Compound notes
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