Basic information
- CAS
159440-09-2- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)OC(=O)C1CCN(C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC(C)C)CC1)C(C)C)OC(=O)CCCCCCCCCCCCCCC- InChIKey
HVHBGVRONQVPKL-MRMGIAJKSA-N- Molecular formula
- C81H130N5O16P
- Average molar mass
- 1,460.9 g/mol
- Monoisotopic mass
- 1,459.92502007
Names & identifiers
- Preferred name
- [(2S)-1-[[(2S)-1-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] 1-[(2R)-2-[[(2S)-2-(2-methylpropoxycarbonylamino)-3-phenylpropanoyl]amino]-3-naphthalen-2-ylpropanoyl]piperidine-4-carboxylate
- IUPAC
- [(2S)-1-[[(2S)-1-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] 1-[(2R)-2-[[(2S)-2-(2-methylpropoxycarbonylamino)-3-phenylpropanoyl]amino]-3-naphthalen-2-ylpropanoyl]piperidine-4-carboxylate
- English name
- 2,3-dihexadecanoyloxypropoxy-[2-[[(2S)-3-methyl-2-[[(2S)-4-methyl-2-[1 -[(2R)-2-[[(2S)-2-(2-methylpropoxycarbonylamino)-3-phenyl-propanoyl]am ino]-3-naphthalen-2-yl-propanoyl]piperidine-4-carbonyl]oxy-pentanoyl]a mino]butanoyl]amino]ethoxy]phosphinic acid
- Molecular formula
- C81H130N5O16P
- Molecular weight
- 1460.896561
Names & synonyms
159440-09-2[(2S)-1-[[(2S)-1-[2-[2,3-di(hexadecanoyloxy)propoxy-hydroxyphosphoryl]oxyethylamino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] 1-[(2R)-2-[[(2S)-2-(2-methylpropoxycarbonylamino)-3-phenylpropanoyl]amino]-3-naphthalen-2-ylpropanoyl]piperidine-4-carboxylateDTXSID501365612iBOC-[L-Phe]-[D-.beta.-Nal]-Pip-[.alpha.-(OH)-Leu-Val-DPPEPeptide 71962,3-dihexadecanoyloxypropoxy-[2-[[(2S)-3-methyl-2-[[(2S)-4-methyl-2-[1 -[(2R)-2-[[(2S)-2-(2-methylpropoxycarbonylamino)-3-phenyl-propanoyl]am ino]-3-naphthalen-2-yl-propanoyl]piperidine-4-carbonyl]oxy-pentanoyl]a mino]butanoyl]amino]ethoxy]phosphinic acid
Database identifiers
- CAS
159440-09-2- PubChem CID
- 462265
Properties
Computed structural properties
- XLogP
- 20.8
- Topological polar surface area
- 281 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 60
- Heavy atoms
- 103
- Formal charge
- 0
- Complexity
- 2,420
Chemistry & industry
Suppliers4 total
LEON (NANJING) BIOTECHNOLOGY CO., LTD.15051830413 · [email protected]
南京莱昂生物科技有限公司025-84523390 -127; 17705183659 · [email protected]
南京肽业生物科技有限公司025-58361106-805 15951641583 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
Related reactions
0 records
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Compound notes
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