Guanyl-damme
Basic information
- CAS
82017-64-9- Standard SMILES
C[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)N=C(N)N)C(=O)NCC(=O)NC(=O)[C@H](Cc1ccccc1)N(C)[C@H](CO)CCS(C)=O- InChIKey
USBJTIYSNFDKMM-UVNGQUMJSA-N- Molecular formula
- C30H43N7O7S
- Average molar mass
- 645.8 g/mol
- Monoisotopic mass
- 645.29446791
Overview
specific name and structure not given in first source
Names & identifiers
- Preferred name
- Guanyl-damme
- IUPAC
- (2S)-2-(diaminomethylideneamino)-N-[(2R)-1-[[2-[[(2S)-2-[[(2S)-1-hydroxy-4-methylsulfinylbutan-2-yl]-methylamino]-3-phenylpropanoyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
- English name
- guanyl-DAMME
- Molecular formula
- C30H43N7O7S
- Molecular weight
- 645.77
Names & synonyms
Guanyl-damme82017-64-9L-Phenylalaninamide, N-(aminoiminomethyl)-L-tyrosyl-D-alanylglycyl-N-(1-(hydroxymethyl)-3-(methylsulfinyl)propyl)-nalpha-methyl-, (1S)-RefChem:144704(2S)-2-(diaminomethylideneamino)-N-[(2R)-1-[[2-[[(2S)-2-[[(2S)-1-hydroxy-4-methylsulfinylbutan-2-yl]-methylamino]-3-phenylpropanoyl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamideDTXSID801002390(2S)-N-(carbamimidoyl-L-tyrosyl-D-alanylglycyl)-2-(((2S)-1-hydroxy-4-(methylsulfinyl)butan-2-yl)(methyl)amino)-3-phenylpropanamide(2S)-2-(Carbamimidoylamino)-N-[(2R)-1-hydroxy-1-{[2-hydroxy-2-({N-[(2S)-1-hydroxy-4-(methanesulfinyl)butan-2-yl]-N-methyl-L-phenylalanyl}imino)ethyl]imino}propan-2-yl]-3-(4-hydroxyphenyl)propanimidic acid2-Carbamimidamido-N-(1-hydroxy-1-{[2-hydroxy-2-({N-[1-hydroxy-4-(methanesulfinyl)butan-2-yl]-N-methylphenylalanyl}imino)ethyl]imino}propan-2-yl)-3-(4-hydroxyphenyl)propanimidic acidL-Phenylalaninamide, N-(aminoiminomethyl)-L-tyrosyl-D-alanylglycyl-N-[(1S)-1-(hydroxymethyl)-3-(methylsulfinyl)propyl]-Nα-methyl- (9CI)
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 249 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- Density
- 1.372 · 1.372±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.885 · 9.885±0.15(predicted)
Chemistry & industry
Applications
DescriptionGuanyl-damme is a stable met-enkephalin analogue.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…