Basic information
- CAS
121034-90-0- Standard SMILES
COC(=O)c1csc(-c2csc(CCN[C@@H](CCCCN)C(=O)NC(=O)[C@H](CC3C=NC=N3)NC(=O)CN)n2)n1- InChIKey
PBCCBTBECZCFBN-YVZMLIKISA-N- Molecular formula
- C24H33N9O5S2
- Average molar mass
- 591.7 g/mol
- Monoisotopic mass
- 591.20460753
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-(Glycyl-histidyl-lysyl)-2-(4''-methoxycarbonyl-2'',4'-bithiazol-2'-yl)ethylamine
- IUPAC
- methyl 2-[2-[2-[[(2S)-6-amino-1-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-1-oxohexan-2-yl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate
- English name
- N-(glycyl-histidyl-lysyl)-2-(4''-methoxycarbonyl-2'',4'-bithiazol-2'-yl)ethylamine
- Molecular formula
- C24H33N9O5S2
- Molecular weight
- 591.71
Names & synonyms
N-Gly-his-lys-2-mcbea121034-90-0N-(Glycyl-histidyl-lysyl)-2-(4''-methoxycarbonyl-2'',4'-bithiazol-2'-yl)ethylamineRefChem:162372methyl 2-[2-[2-[[(2S)-6-amino-1-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4H-imidazol-4-yl)propanoyl]amino]-1-oxohexan-2-yl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylateDTXSID80923642N-(glycyl-histidyl-lysyl)-2-(4/'/'-methoxycarbonyl-2/'/',4/'-bithiazol-2/'-yl)ethylamineL-Lysinamide, glycyl-L-histidyl-N-(2-(4-(methoxycarbonyl)(2,4'-bithiazol)-2'-yl)ethyl)-(2S)-6-Amino-N-[N-(2-amino-1-hydroxyethylidene)-3-(4H-imidazol-4-yl)-L-alanyl]-2-({2-[4-(methoxycarbonyl)[2,4'-bi-1,3-thiazol]-2'-yl]ethyl}amino)hexanimidic acid6-Amino-N-[N-(2-amino-1-hydroxyethylidene)-3-(4H-imidazol-4-yl)alanyl]-2-({2-[4-(methoxycarbonyl)[2,4'-bi-1,3-thiazol]-2'-yl]ethyl}amino)hexanimidic acidGly-L-His-L-Lys-[2-[4-(Methoxycarbonyl)[2,4'-bithiazol]-2'-yl]ethyl]NH2L-Lysinamide, glycyl-L-histidyl-N-[2-[4-(methoxycarbonyl)[2,4'-bithiazol]-2'-yl]ethyl]- (9CI)
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 273 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 17
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 940
Physicochemical properties
- Density
- 1.374 · 1.374±0.06 g/cm3(Predicted)
- pka
- 13.29 · 13.29±0.46(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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