Basic information
- CAS
81081-59-6- Standard SMILES
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O- InChIKey
ZABMJSAHPWHMNM-QCOJBMJGSA-N- Molecular formula
- C36H60N10O11
- Average molar mass
- 808.9 g/mol
- Monoisotopic mass
- 808.44430277
Names & identifiers
- Preferred name
- Lysyl-prolyl-glycyl-glutamyl-prolyl-glycyl-prolyl-lysine
- IUPAC
- (2S)-6-amino-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-4-carboxy-2-[[2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
- English name
- lysyl-prolyl-glycyl-glutamyl-prolyl-glycyl-prolyl-lysine
- Molecular formula
- C36H60N10O11
- Molecular weight
- 808.92
Names & synonyms
AT-Cdop81081-59-6Collagen-derived octapeptideLysyl-prolyl-glycyl-glutamyl-prolyl-glycyl-prolyl-lysineLys-pro-gly-glu-pro-gly-pro-lysRefChem:154805(2S)-6-amino-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-4-carboxy-2-[[2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoic acidorb1696220SCHEMBL29363977DTXSID601001760AKOS030531727L-Lysine, N2-(1-(N-(1-(N-(N-(1-L-lysyl-L-prolyl)glycyl)-L-alpha-glutamyl)-L-prolyl)glycyl)-L-prolyl)-
Show more names
L-Lysine, L-lysyl-L-prolylglycyl-L-α-glutamyl-L-prolylglycyl-L-prolyl-
T33096N~2~-[(1-{N-[(1-{4-Carboxy-2-[(1-hydroxy-2-{[hydroxy(1-lysylpyrrolidin-2-yl)methylidene]amino}ethylidene)amino]butanoyl}pyrrolidin-2-yl)(hydroxy)methylidene]glycyl}pyrrolidin-2-yl)(hydroxy)methylidene]lysineN~2~-{[(2S)-1-{N-[{(2S)-1-[(2S)-4-Carboxy-2-{[1-hydroxy-2-({hydroxy[(2S)-1-L-lysylpyrrolidin-2-yl]methylidene}amino)ethylidene]amino}butanoyl]pyrrolidin-2-yl}(hydroxy)methylidene]glycyl}pyrrolidin-2-yl](hydroxy)methylidene}-L-lysine
Properties
Computed structural properties
- XLogP
- -7.9
- Topological polar surface area
- 330 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 23
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,470
Physicochemical properties
- Boiling point
- 1275.9 · 1275.9±65.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 3.6 · 3.60±0.21(Predicted)
Chemistry & industry
Suppliers5 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]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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